A Valuable Biomembrane Mimetic System for Melittin

Program Schedule and Abstract Book

ACA 2015 Program

July 25 - 29, 2015

The Program Report was last updated July 30, 2015 at 01:09 AM EDT. To view the most recent meeting schedule

online, visit https://aca2015.abstractcentral.com/planner.jsp

Saturday, July 25, 2015

Sunday, July 26, 2015

Time Session or Event Info

8:00 AM-4:00 PM, Philadelphia North (Sheraton Hotel), WK.04. Small Angle Scattering:Structural Biologyand Soft Matter, Workshop

9:00 AM-5:00 PM, Salon 5/6 (Sheraton Hotel), WK.03. Rietveld Refinement Analysis,Workshop

9:00 AM-5:00 PM, Salon 10 (Sheraton Hotel), WK.02. Serial Crystallography Data Analysiswith Cheetah and CrystFEL: Concepts & Tutorials, Workshop

5:30 PM-6:30 PM, Salon 10 (Sheraton Hotel), E1. First Time Attendee & Student MeetingOrientation, Lecture

7:30 PM-10:30 PM, Liberty Ballroom (Sheraton Hotel), E2. Opening Reception and ExhibitShow, Reception


8:00 AM-8:45 AM, Freedom Ballroom (Sheraton Hotel), P1. Warren Award Presentation andLecture: Laurence Marks, Lecture

8:00-8:45 AMP1.01. Understanding Oxide Surfaces: From Structure to Catalysis L.Marks

8:50 AM-11:50 AM, Independence AB (Sheraton Hotel), T1. Transactions I: Crystallographyfor Sustainability, Lecture

8:50-9:30 AMT1.02. Organic Synthesis in the Solid State Using Principles ofCrystal Engineering L.R. MacGillivray

9:30-10:00 AM T1.03. Crystallography and Sustainability J.R. Helliwell

10:00-10:35 AM Coffee Break

10:35-11:15 AMT1.04. The Solvent-free Research Laboratory: Synthesis andReaction Discovery Using Solid-state Chemistry andMechanochemistry T. Friscic

11:15-11:55 AMT1.05. Two Step Reduction Process for the Synthesis of NewOrganic/Inorganic Hybrid Materials Containing Metals in ReducedOxidation States H. zur Loye

9:00 AM-12:00 PM, Freedom Ballroom (Sheraton Hotel), 1.1.3. Application of SANS/SAXS toStructural Biology, Lecture

9:00-9:20 AM1.1.3.01. Applications of Small-Angle Neutron Scattering toMembrane Structural Biology W. Heller

9:20-9:40 AM1.1.3.02. Order-to-Disorder Transitions in BECN1 RegulateAutophagy S. Sinha; Y. Mei; K. Glover; M. Su; A. Ramanathan; R.Sanishvili; S. Chakravarthy ; C.L. Colbert

9:40-10:00 AM1.1.3.03. Shape of the CENP-A nucleosomes in solution on -satelliteDNA is different than on synthetic 601 DNA sequence N. Sekulic; K.Gupta; G. Van Duyne; B. Black


10:00-10:20 AM1.1.3.04. Small-Angle X-ray and Neutron Scattering Studies of HIV-1Proteins and their Interactions J. Trewhella

10:20-11:00 AM

1.1.3.05. Serial SAXS and Crystallization in-situ: New options forautomated, efficient and high throughput data acquisition at the ESRFBiosaxs beamline BM29 A.R. Round; P. Pernot; M. Brennich; D.Radajewski; N. Pham; B. Biscans; F. Bonnet; S. Teychen

11:00-11:20 AM1.1.3.06. SANS Contrast Variation Experiments on ProteinComplexes with Disordered Subunits S. Krueger

11:20-11:40 AM1.1.3.07. CCP-SAS a community consortium for the atomisticmodelling of scattering data J.E. Curtis; E. Brookes; D.W. Wright; H.Zhang; J. Chen; S. King; P. Butler; S. Perkins

9:00 AM-12:00 PM, Philadelphia North (Sheraton Hotel), 1.1.1. Crystallography of EmergentPhenomena I, Lecture

9:00-9:30 AM1.1.1.01. Vacancies, Doping, and Intercalations in Solution-ProducedFeSe-based Material J. Greenfield; S. Kamali; C. Pak; K. Lee; K.Kovnir

9:30-10:00 AM1.1.1.02. White-light emission from layered hybrid perovskites H.Karunadasa; E. Dohner; A. Jaffe


10:30-10:50 AM1.1.1.03. Structure distortions and spin-lattice coupling in EuTiO3 H.Cao; B.C. Chakoumakos; j. yan

10:50-11:10 AM

1.1.1.04. Observation of the magnetic C4 phase and a two Qmagnetic structure in hole doped Sr1-xNaxFe2As k.m. taddei; J.M.Allred; D.E. Bugaris; M. Krogstad; s. rosenkranz; R. Osbron; D.Brown; H. Claus; D. Chung; M.G. Kanatzidis; S. Lapidus; O.Chmaissem

11:10-11:40 AM1.1.1.05. Magnetic ordering and metal-insulator transitions inhollandite-type oxides E.E. Rodriguez; A. Larson; P. Moetakef

11:40-12:00 PM1.1.1.06. Syntheses, Crystal Structure and Properties ofCa13REMnSb11 (RE = La-Sm). New Quaternary Phases derivedfrom Ca14MnSb11. J. Prakash; S. Bobev

9:00 AM-12:00 PM, Philadelphia South (Sheraton Hotel), 1.1.2. Poster Preview Session,Lecture

9:00 AM-12:00 PMM25. Synthesis and Characterization of a Bismuth (III)-Organic HybridMaterial A.K. Adcock; K.E. Knope

9:00 AM-12:00 PMM39. Novel uranyl(VI) complexes incorporating propylene-bridgedsalen-type N2O2-ligands: A Structural Approach S.I. Al-Resayes; M.Azam

9:00 AM-12:00 PMT46. Structure-guided modification of a flavin-dependent isoprenoidalkene reductase Y. Kung; R.P. McAndrew; X. Xie; C.C. Liu; J.H.Pereira; P. Adams; J.D. Keasling

9:00 AM-12:00 PMM13. Study of the natural growth Desert Rose formations, in particularfrom the Desert of Chihuahua, a structural and chemical behavioranalysis. A. Encerrado Manriquez; A. Goos; A.D. Price

9:00 AM-12:00 PMS07. Chiral Channels in Molecular Co-Crystals: Unexpectedstructures that arise from the co-crystallization of 2,4,6-tris(4-X-phenyl)arenes R. Wiscons; H. Lai; M. Zeller; J. Rowsell

9:00 AM-12:00 PM Coffee Break

9:00 AM-12:00 PMS11. Crystal structure of a drug target "imidazoleglycerol-phosphatedehydratase (IGPD)" from Mycobacterium Tuberculosis. M.S.Ahangar; R. vyas; B.K. Biswal

9:00 AM-12:00 PMT17. Earliest Robosomal Proteins Had No Methionine to Begin WithB. Duax; S. Chen; C. Huck; N. Sass

9:00 AM-12:00 PM

T02. A novel cyclization mechanism to biologically producepharmacological cyclic compounds: the crystal structure of aterpenoid cyclase derived from short chainsdehydrogenase/reductases S. Ye; L. Qin; Y. Zhu; R. Zhang

9:00 AM-12:00 PMS16. Effect of Environmental Pollutants on Xenobiotic Regulation viaP-glycoprotein (P-gp) S. Rees; A.P. McGrath; G. Chang

9:00 AM-12:00 PMS04. Beclin 2 interacts with Atg14 through a metastable coiled-coil toregulate autophagy M. Su; Y. Li; D. Neau; C.L. Colbert; S. Sinha

9:00 AM-12:00 PMM41. Ribosomal Informatics, Ribosomal Protein S21 K.M. Gibas;W.L. Duax ; J. Redlinski; C. Huck

9:00 AM-12:00 PM

S36. Structural and Functional Characterizations of Solute BindingProteins by Differential Scanning Fluorimetry and Crystallography U.Yadava; M.W. Vetting; N.F. Al Obaidi; R. Toro; J. love; R.D. Siedel;K.L. Whalen; J.A. Gerlt; S.C. Almo

9:00 AM-12:00 PM

T14.DISTRO_PDB: Probing crystallographic data distributions andcorrelations in the Protein Data Bank H. Yang; B.P. Hudson; C. Shao;J. Young; J.D. Westbrook; H.M. Berman; S.K. Burley

9:00 AM-12:00 PMS10. Crystal structure and receptor binding of the haemagglutininfrom human-infecting H10N8 influenza virus H. Zhang; R. de Vries; N.Tzarum; X. Zhu; W. Yu; R. McBride; J. Paulson; I.A. Wilson

9:00 AM-12:00 PM, Independence CD (Sheraton Hotel), 1.1.4. Structural Informatics forDrug Design and Development, Lecture

9:00-9:30 AM1.1.4.01. Exploring structure-stability relationships of tazofelonepolymorphs S. Reutzel-Edens

9:30-10:00 AM1.1.4.02. Identifying Intermolecular Interactions that Influence CrystalPacking and Symmetry R. Taylor; F. Allen; J. Cole


10:30-11:00 AM1.1.4.03. A Comprehensive Database of Distance Geometry EnablesRapid Searches for Likeness In PDB Structures and Complexes B.C.Finzel

11:00-11:20 AM

1.1.4.04. Rational engineering of protein surfaces to improvecrystallization while preserving solubility S. Singh; V. Naumov; W.Price; H. Neely; S. Vorobiev; F. Forouhar; A. Kuzin; S. Handelman;M. Su; J. Everett; T. Acton; R. Xiao; G. Montelione; J. Hunt

11:20-11:40 AM1.1.4.05. Using Small Molecule Structures to Generate High QualityDictionaries for Macromolecular Refinement of Protein-LigandComplexes P. Emsley

11:40-12:00 PM1.1.4.06. Including cis-peptides in a conformation dependent libraryfor protein main chain bond angles D.E. Tronrud; P.A. Karplus

12:00 PM-1:00 PM, Independence AB (Sheraton Hotel), Canadian Division Meeting,Scientific Interest Group (SIG)

12:00 PM-1:00 PM, Independence CD (Sheraton Hotel), Industrial SIG Meeting, ScientificInterest Group (SIG)

12:00 PM-1:30 PM, Philadelphia South (Sheraton Hotel), Undergradute Reception,Reception, Krystle McLaughlin, [email protected], Lehigh University

1:30 PM-5:00 PM, Independence CD (Sheraton Hotel), 1.2.4. Biological Macromolecules,Lecture

1:30-1:50 PM1.2.4.01. RitR, A Response Regulator with an Aspartate-LessReceiver Domain L. Han

1:50-2:10 PM

1.2.4.02. Structural insight into the deubiquitinating activity of MERS-CoV PLpro demonstrates its role in the suppression of the innateimmune response B.A. Bailey-Elkin; R.C. Knaap; G.G. Johnson; T.J.Dalebout; D.K. Ninaber; P.B. van Kasteren; P.J. Bredenbeek; E.J.Snijder; M. Kikkert; B.L. Mark

2:10-2:30 PM

1.2.4.03. Structural and Biochemical Characterization ofPseudomonas putida KT2440 NicC, a 6-Hydroxynicotinic Acid 3-Monooxygenase K. Hicks; M. Yuen; W. Zhen; M. Kopp; T. Gerwig; M.Snider

2:30-2:50 PM1.2.4.04. Cyclic-di-AMP promotes bacterial virulence throughallosteric regulation of pyruvate carboxylase P. Choi; K. Sureka; J.Woodward; L. Tong

2:50-3:30 PM Coffee Break

3:30-3:50 PM1.2.4.05. Early Structure Based Design on the way to Novel Bindingof ERK inhibitors A. Hruza

3:50-4:10 PM

1.2.4.06. A Life-Science and Biomedical Technology ResearchResource for NSLS-II LSBR R.M. Sweet; L.E. Berman; S.Chodankar; M.R. Fuchs; A. Heroux; J. Jakoncic; S. McSweeney; L.Miller; A.M. Orville; H. Robinson; J.M. Skinner; A. Soares; D.K.Schneider; V. Stojanoff; R. Tappero; L. Yang

4:10-4:30 PM1.2.4.07. Innovative Applications of Pressure Cryo-cooling T. Chua;Q. Huang; M. Szebenyi

4:30-4:50 PM1.2.4.08. MX Structural Solution using ccp4 and ccp4i2. C. Ballard; M.Noble; L. Potterton; K. Cowtan; S. McNicholas; E. Krissinel; R.Keegan; A. Lebedev; D. Waterman; V. Uski; M. Wodjyr; G. Evans

1:30 PM-5:00 PM, Freedom Ballroom (Sheraton Hotel), 1.2.2. Engaging Undergraduateswith Crystallographic Research, Lecture

1:30-2:00 PM1.2.2.01. X-Ray Diffraction in Forensic Chemistry Curriculum: SomeRemarks from State College Laboratory A.Y. Nazarenko

2:00-2:30 PM1.2.2.02. Assessing the structural effects of unnatural amino acidincorporation in proteins; Setting up and maintaining a protein X-raycrystallography lab at a small liberal arts college C.M. Phillips-Piro

2:30-3:00 PM 1.2.2.03. One Crystal Structure A Day J.A. Golen; D.R. Manke


3:30-4:00 PM1.2.2.04. Using crystallography to lower the barriers to startingresearch with undergraduates D.H. Johnston

4:00-4:30 PM1.2.2.05. X-ray crystallography as a central technique inundergraduate research P.D. Cook

4:30-5:00 PM

1.2.2.06. Asymmetric carbonyl and imine alkylation with titaniumLewis acid catalysts: Ligands, metal complexes, substrates andproducts incorporating chemical crystallography all the way J.Tanski

1:30 PM-5:00 PM, Philadelphia North (Sheraton Hotel), 1.2.1. From Fingerprinting to Full ID:PXRD, Lecture

1:30-2:00 PM1.2.1.01. Applications of Powder X-ray Diffraction in PharmaceuticalDevelopment A.P. Brunskill

2:00-2:30 PM1.2.1.02. Quantitative Analysis by X-ray Powder Diffraction:chemometrics, matrix effects and non-crystalline materials. S. Bates

2:30-3:00 PM1.2.1.03. Pair Distribution Function using laboratory X-Ray DiffractionEquipment J.E. Quinn; m. Sommariva; C.A. Reiss; M. Gateshki


3:30-4:00 PM1.2.1.04. Non classical applications of powder diffraction and theRietveld method: from thin films, nanomaterials to texture andresidual stress analyses. L. Lutterotti

4:00-4:30 PM1.2.1.05. Pharmaceutical materials science unique role of XRD inthe characterization and quantification of crystalline phases R.Suryanarayanan

4:30-5:00 PM1.2.1.06. XRD2 and XRD3 Analyses of Polycrystalline Powders,Solids and Films J. Britten; V. Jarvis

1:30 PM-5:00 PM, Philadelphia South (Sheraton Hotel), 1.2.3. Molecular Machines, Lecture

1:30-2:10 PM1.2.3.01. A hybrid methods approach to determine the structure ofTetrahymena telomerase holoenzyme J. Feigon

2:10-2:35 PM1.2.3.02. Bacterial Microcompartments: Selective Molecular Transportthrough Shell Pores S. Chun; C. Chowdhury; A. Pang; M. Sawaya; S.Sinha; T. Bobik; T. Yeates

2:35-3:00 PM1.2.3.03. Structural studies on the yeast and human U6 snRNPs E.J.Montemayor; D. Brow; S.E. Butcher


3:30-4:10 PM1.2.3.04. Crystal structure of the Polycomb PRC1 E2-E3ubiquitylation module bound to its nucleosome substrate S. Tan; R.K.McGinty; R.C. Henrici

4:10-4:35 PM1.2.3.05. Atomic insights into the protein phosphatase-1 holoenzymesR. Bajaj; P. Wolfgang; R. Page

4:35-5:00 PM

1.2.3.06. A Pyruvate Dehydrogenase-Dihydrolipoyl AcetyltransferaseSubcomplex from the Pyruvate Dehydrogenase Multi-enzymeComplex Reveals Lipoyl domain-E1 Interactions and a NovelTethering Mode Linking the E1 and E2 Components W. Furey; P.Arjunan; S. Reynolds; G.A. CALERO; N. Nemeria; F. Jordan

1:35 PM-5:05 PM, Independence AB (Sheraton Hotel), Transaction II: Crystallography forSustainability, Lecture

1:35-2:15 PMT1.06. Following the Light Atoms in Energy Storage Devices UsingNeutron Powder Diffraction A. Huq

2:15-2:55 PMT1.07. Development of powder diffraction methods for studyingcomplex structural problems in simple semiconductors for solar watersplitting P. Khalifah


3:30-4:10 PMT1.08. Modifications of Mo3Sb7 via Chemical Substitution to Enhancethe Thermoelectric Properties H. Kleinke

4:10-4:50 PMT1.09. Elucidating the Structure of Ionic Liquids by SXRD, SAXS andWAXS New Opportunities for Materials Design A.V. Mudring

5:00 PM-6:30 PM, Philadelphia South (Sheraton Hotel), 1.3.1. Career Odyssey, Lecture

5:00-5:00 PM Celeste MacElverey

5:00-5:00 PM Christine Beavers

5:00-5:00 PM Jason Stagno

5:00-5:00 PM Cora Lind-Kovacs

5:00-5:00 PM Steven Sheriff

5:00 PM-6:00 PM, Freedom Ballroom (Sheraton Hotel), General Interest SIG Meeting,Scientific Interest Group (SIG)

5:30 PM-7:30 PM, Liberty Ballroom (Sheraton Hotel), PI. POSTER SESSION I, Poster

5:30 PM-7:30 PMS01. A Novel Approach to Overcome Antibiotic Resistance byTargeting ERA, an Essential GTPase That Couples Cell Growth withCell Division v. kumari; J. Tropea; G. Shi; D.S. Waugh; D. Court; X. Ji

5:30 PM-7:30 PMS02. A Unique Human Mycoplasma Protein that Generically BlocksAntigen-Antibody Union X. Zhu; R.K. Grover; T. Nieusma; H.J. Kim;A.B. Ward; R.A. Lerner; I.A. Wilson

5:30 PM-7:30 PMS03. Bacterial hydrocarbon biosynthesis: Elucidating the role ofGlu117 in the mechanism of OleA M.R. Jensen; J.K. Christenson;L.P. Wackett; C.M. Wilmot

5:30 PM-7:30 PMS04. Beclin 2 interacts with Atg14 through a metastable coiled-coil toregulate autophagy M. Su; Y. Li; D. Neau; C.L. Colbert; S. Sinha

5:30 PM-7:30 PMS05. Biophysical Analysis of a Natively Folded VDAC F.G. Ferens; G.Orriss; J. Stetefeld; D.A. Court

5:30 PM-7:30 PMS06. Charge-transfer Complexes Between Bis(arene)iron(II) Saltsand Aromatic Compounds: Removing the Cobwebs from an Old StoryM.W. Bezpalko; B.M. Foxman

5:30 PM-7:30 PMS08. CIPC interacts with exon19 of CLOCK protein to function as anadditional negative-feedback regulator in circadian rhythm z. hou; L.Su; H. zhang

5:30 PM-7:30 PMS09. Conformational Flexibility in a Conserved Beclin 1 RegionEssential for Starvation-mediated Autophagy Y. Mei; K. Glover; M.Su; R. Sanishvili; S. Chakravarthy ; C.L. Colbert; S. Sinha

5:30 PM-7:30 PMS10. Crystal structure and receptor binding of the haemagglutininfrom human-infecting H10N8 influenza virus H. Zhang; R. de Vries; N.Tzarum; X. Zhu; W. Yu; R. McBride; J. Paulson; I.A. Wilson

5:30 PM-7:30 PM

S12. STRUCTURAL INSIGHTS INTO THE MECHANISMS OFCATALYSIS AND INHIBITION OF HUMAN NOROVIRUSPOLYMERASE M. Shaik; V. Sohal; J. Savtchouk; H. Rho; E. Hoffarth;G. Jurca; A. Cottle; D. Lang; F. Parra; K. Ng

5:30 PM-7:30 PM

S13. Crystal Structures of Native and Mutant HIV-1 Capsid ProteinsReveal Molecular Details of Interactions with Ligands and StructuralBasis of Capsid Stability A.T. Gres; K.A. Kirby; V.N. KewalRamani;J.J. Tanner; O. Pornillos; S.G. Sarafianos

5:30 PM-7:30 PMS14. "REDUCTION OF THE ACTIVE SITE OF BOVINE LIVERCATALASE WITH X RAY" O. Gmez

5:30 PM-7:30 PMS15. Effect of Cations and pH on Neurosprora crassa CDHIIADimensions Investigated by Small Angle X-ray Scattering A.M.Bodenheimer; F. Meilleur

5:30 PM-7:30 PMS16. Effect of Environmental Pollutants on Xenobiotic Regulation viaP-glycoprotein (P-gp) S. Rees; A.P. McGrath; G. Chang

5:30 PM-7:30 PMS17. Effect of protein crystal hydration on side chain conformationand heterogeneity H. Atakisi; D. Moreau; J. Hopkins; R.E. Thorne

5:30 PM-7:30 PMS18. Entropy or enthalpy or both, that is the question: A fresh lookbeyond the asymmetric unit of protein crystals Y. Dewedjiev

5:30 PM-7:30 PM

S19. Enzyme Discovery for Natural Product Biosynthesis H. Cao; T.Center for Natural Product Biosynthesis; T. Midwest Center forStructural Genomics; T. Northeast Center for Structural Genomics;G.N. Phillips Jr.

5:30 PM-7:30 PMS20. HH Clashes in Published Carboxylic Acid Structures C.H.Schwalbe

5:30 PM-7:30 PMS21. High Resolution Crystal Structures of Antiviral, Glycosylated Y3Protein from the Fungus Coprinus comatus K. Li; G. Yang; P. Zhang;Y. Ding; S.D. Bruner

5:30 PM-7:30 PMS22. In silico characterization and visualization of a protein ofunknown function (4GHB) that may have enzymatic activity K. Cherry-Irby; P.A. Craig; H.J. Bernstein

5:30 PM-7:30 PMS23. In silico studies of the function of crystal structure of a porin-likeprotein (BACUNI_01323) from Bacteroides uniformis ATCC 8492 at2.32 A resolution L. Rosa; H.J. Bernstein; P.A. Craig

5:30 PM-7:30 PMS24. Intercalating Dyes for Enhanced Contrast in Second HarmonicGeneration Imaging of Protein Crystals N. Scarborough; J. Newman;N. Pogranichniy; G. Simpson

5:30 PM-7:30 PMS25. Modeling the crystal structure and ion exchange mechanisms ofrare earth elements into zorite A. Celestian; J.C. Chappell

5:30 PM-7:30 PMS26. Molecular interactions within the Crumbs cell polarity complexM.E. Ivanova; P. Saiu; G.C. Fletcher; N. OReilly; A.G. Purkiss; S.Kjaer; B.J. Thompson; N.Q. McDonald

5:30 PM-7:30 PMS27. Nicotinamide Adenine Dinucleotide Biosynthesis inStreptococcus pyogenes W.T. Booth; T.L. Morris; L.R. Offermann; M.Chruszcz

5:30 PM-7:30 PMS28. Non-canonical Hydrogen Bonding to AdoMet is a CommonFeature of AdoMet-dependent Methyltransferases R. Fick; R. Trievel;H.M. Holden; R.A. Mehl; F. Meilleur; D.A. Myles; S. Scheiner

5:30 PM-7:30 PM

S29. Novel comprehensive approaches to optimize crystal growth andnanocrystal sample preparation using transmission electronmicroscopy C.O. Barnes; H. Stevenson; E. Kovaleva; G. LIN; A.Cohen; G.A. CALERO

5:30 PM-7:30 PMS31. Pressure induced structural transition in Ho0.5Y1.5Ti2O7 bysynchrotron XRD and Raman experiments M.A. White; R.S. Kumar;J. Baker; B. Light ; M. Pravica; A. Cornelius; J.S. Smith

5:30 PM-7:30 PM

S32. Protein Electron Transfer Complexes During the Initiation ofPolychlorinated Biphenyl Degradation Investigated by Small-Angle X-ray Scattering J. Jensen; B. LeVahn; Z. Staskywicz; K. Glover; D.B.Neau; S. Chakravarthy ; S. Sinha; C.L. Colbert

5:30 PM-7:30 PM

S33.REST APIs for searching and accessing PDB and EMDB J. Dana; S.Gore; E. Sanz-Garcia; M. Fernandez Montecelo; Y. Alhroub; I.Langerstedt; S. Mir; G. van Ginkel; M. Wainwright; J. Berrisford; A.Gutmanas; A. Patwardhan; S. Velankar; G. Kleywegt

5:30 PM-7:30 PMS34. Self-Healing Dynamics in Ultra-High Temperature Carbide-Diamondoid Nuclear Fuels B. Udovic

5:30 PM-7:30 PMS35. Preparation and properties of new group-13 based metal-organic frameworks D. Reinares-Fisac; L.M. Aguirre; N. Snejko; M.Iglesias; E. Gutierrez-Puebla; F. Gndara; M. Monge

5:30 PM-7:30 PM

S36. Structural and Functional Characterizations of Solute BindingProteins by Differential Scanning Fluorimetry and Crystallography U.Yadava; M.W. Vetting; N.F. Al Obaidi; R. Toro; J. love; R.D. Siedel;K.L. Whalen; J.A. Gerlt; S.C. Almo

5:30 PM-7:30 PMS37. Structural and optical properties study of nanocrystalline Si (nc-Si) thin films deposited on porous aluminum by PECVD S. Ktifa

5:30 PM-7:30 PMS38. Structural basis for sequestration of anti-70 factor Rsd from70 by dephosphorylated HPr S. Um

5:30 PM-7:30 PMS39. Structural basis for the substrate specificity of periplasmicglucose binding protein ppGBP from Pseudomonas putida CSV86 S.Pandey; A. Modak; P. Phale; P. Bhaumik

5:30 PM-7:30 PMS40. Structural Development of Enzyme Toolbox for Natural ProductBiosynthesis F. Wang; S. Singh; W. Xu; E. Brady; M. Miller; K.Helmich; C. Bingman; J. Thorson; G.N. Phillips Jr.

5:30 PM-7:30 PMS41. Structural Investigation of Polyketide Synthase Architecture M.Skiba; J. Whicher ; W. Gerwick; D. Sherman; J. Smith

5:30 PM-7:30 PMS42. Structural Studies of FoxC2 DNA binding domain S. LI; L.Pradhan; S. .; H. Nam

5:30 PM-7:30 PMS43. Structural studies of the fused PqqCD enzymes inMethylobacterium extorquens offer insights into PqqD function R.L.Evans

5:30 PM-7:30 PM

S44. Structure of GrlR and GrlRGrlA complex that providemechanistic insight into a regulatory module for the virulence ofEnteropathogenic and Enterohemorrhagic Escherichia coli. J.Chacko; A. Padavannil; J. Sivaraman

5:30 PM-7:30 PMS45. Structure-Based Discovery of Allosteric HIV Integrase InhibitorsD. Klein; J. Sanders; S. Patel; J. Reid; S. Sharma; K. Narayan; A.Converso; D. Beshore; D. Krosky; T. Diamond; J. Grobler

5:30 PM-7:30 PMS46. Structure-Based Drug Design of Isoform Specific CarbonicAnhydrase Inhibitors A. Bhatt; B.P. Mahon; C.L. Lomelino; B.Cornelio; M. Ceruso; C. Supuran; R. McKenna

5:30 PM-7:30 PMS47. Synthesis and X-ray Characterization of Cobalt PhosphideNanorods for Oxygen Reduction Reaction V. Doan-Nguyen; S.Zhang; E.B. Trigg; R. Agarwal; D. Su; J. Li; K. Winey; C.B. Murray

5:30 PM-7:30 PMS48. Template-Directed Nucleation of Diarylurea Polymorphs M.A.Solomos; S. Seshadri; C. Capacci-Daniel; J.A. Swift

5:30 PM-7:30 PMS49. Templation effects and novel ZIF structures by solid statesynthesis I. Brekalo; J.R. Ramirez; C.M. Kane; K. Holman

5:30 PM-7:30 PMS51. The first X-ray crystal structure of full-length mammalianphenylalanine hydroxylase E.C. Arturo; U. Ramirez; T. Scary; A.Heroux; E.K. Jaffe; P.J. Loll

5:30 PM-7:30 PM

S52. The Incorporation of Polyaromatic Hydrocarbons into an S-layerprotein of the Hyperthermophilic Archaeon Staphylothermus marinusM.D. McDougall; M. Meier; F. Ferens; T. Halldorson; G. Tomy; J.Stetefeld

5:30 PM-7:30 PM

S53. Crystallographic and SAXS-based Structure For HumanTankyrase-1 Ankyrin Repeats, A Flexible Heteromultivalent BindingPlatform For Targets of ADP-Ribose Modification -EndFragment-->T.J. Eisemann; M. McCauley; M. Langelier; S. Roy; J.M. Pascal; K.Gupta; G. Van Duyne

5:30 PM-7:30 PMS54. The roles of active site residues and water molecules for ligandorientation in Arabidopsis dUTPase N. Inoguchi; H. Moriyama

5:30 PM-7:30 PM

S55. The Supramolecular Self Assembly of the Uranyl Tetrahalideand Isothiocyanate Tectons: A Step toward Understanding theUnderlying Factors that Govern Assembly, Speciation and PropertiesR.G. Surbella

5:30 PM-7:30 PM

S56. The wwPDB Deposition and Annotation System B.P. Hudson; Z.Feng; S. Gore; V. Guranovi; C.L. Lawson; T. Oldfield; E. Peisach; M.Quesada; R. Sala; M. Sekharan; S. Sen; S. Velankar; J.D.Westbrook; H. Yang; J. Young; J.L. Markley; H. Nakamura; G.J.Kleywegt; S.K. Burley; t. wwPDB team

5:30 PM-7:30 PMS57. Total scattering pair distribution function for probing localstructuring and recrystallization of amorphous molecules: a study oflactose. M.W. Terban; E. Cheung; P. Krolikowski; S. Hollis; S. Billinge

5:30 PM-7:30 PMS58. Two isomorphic crystal structures of Arp2/3 complex givestructural information about Arp2 and potential N-WASP binding sites.C.T. Jurgenson; T. Pollard; A. Henderson

Monday, July 27, 2015

5:30 PM-7:30 PMS59. The structure of a prophenoloxidase from a mosquito,Anopheles gambiae provides new insights into the mechanism ofPPO activation Y. Hu; Y. Wang; J. Deng; H. Jiang

5:30 PM-7:30 PMS60. X-ray Crystal Structures of Acetylated Lysine Residues inHuman Carbonic Anhydrase C.L. Lomelino; B.P. Mahon; A. Salguero;J.M. Driscoll; M. Pinard; R. McKenna

8:00 PM-11:00 PM, City Tap House (City Tap House, 2 Logan Square), Bruker YSSIG Mixer,Reception


8:00 AM-8:45 AM, Freedom Ballroom (Sheraton Hotel), P2. Buerger Award Presentation andLecture: Greg Petsko, Lecture

9:00 AM-12:00 PM, Philadelphia South (Sheraton Hotel), 2.1.2. Crystal Engineering Form &Function, Lecture

9:00-9:30 AM 2.1.2.01. Explosive Cocrystals A.J. Matzger

9:30-10:00 AM 2.1.2.02. Semiconductor Co-Crystals L.R. MacGillivray


10:30-11:00 AM2.1.2.03. MOFs as macromolecular ligands: new coordinationchemistry enabled by SBU transmetalation M. Dinca

11:00-11:20 AM

2.1.2.04. Programmable Crystal Contacts Used to Improve theResolution of Self-Assembled 3D DNA Crystals N.C. Seeman; Y.Ohayon; A.R. Chandrasekaran; C. Hernandez; J.J. Birktoft; R. Sha;P. Lukeman; C. Mao; P. Chaikin; S. Ginell

11:20-11:40 AM2.1.2.05. Melting point-solubility-structure relations of selectedinclusion compounds N. Bathori

11:40-12:00 PM2.1.2.06. The role of atropisomers on the photo-reactivity and fatigueof diarylethene-based metal-organic frameworks J.B. Benedict; I.Walton; J. Cox; C. gleason; C. Benson; D.G. Patel; Y. Chen

9:00 AM-12:00 PM, Independence CD (Sheraton Hotel), 2.1.3. General Interest I, Lecture

9:00-9:30 AM2.1.3.01. Reaching a new highpoint with crystallography software -APEX3 M. Ruf; J. Kaercher; B.C. Noll

9:30-10:00 AM2.1.3.02. Upgrading Experimental Setups with Incoatec's MicrofocusSource IS and/or Scatterless Pinholes A. Kleine; C. Umland; L.Kuttnik; J. Graf


10:30-11:00 AM2.1.3.03. Current Status of the Liquid-Metal-Jet X-ray SourceTechnology E. Espes; M. Otendal; T. Tuohimaa; B.A. Hansson; O.Hemberg; P. Takman; G. Johansson

11:00-11:20 AM2.1.3.04. The routine use of D8 VENTURE with METALJET systemsin chemical crystallography and structural biology laboratories. C.F.Campana; B.C. Noll; M. Benning; S. Freisz

11:20-11:40 AM

2.1.3.05. Extracting an Extremely Weak Sulfur SAD Signal usingShutterless Data Collection and a High-Speed CCD Detector Z. Fu; J.Chrzas; Z. Jin; P. Kandavelu; U. Chinte; J. Fait; R. Salazar; J.Gonczy; J.P. Rose; B. Wang

11:40-12:00 PM 2.1.3.06. What's new in GSAS-II B. Toby; R. Von Dreele

9:00 AM-11:40 AM, Philadelphia North (Sheraton Hotel), 2.1.1. Porous Materials at the Nanoand Meso-scale, Lecture

9:00-9:40 AM2.1.1.01. Symmetry and electronic structure considerations in thesynthesis of electrically conducting MOFs M. Dinca

9:40-10:00 AM2.1.1.02. In-situ Powder Diffraction of Small Molecules in IndustriallyRelavent Porous Materials M. Hudson; C. Brown


10:30-11:00 AM2.1.1.03. Metal-organic frameworks, hydrogen bonded organicframeworks, and Jesse Rowsell S. FitzGerald; C. Zentner; H. Lai; R.Wiscons; J. Greenfield; M. Zeller; C.F. Campana; O. Talu

11:00-11:20 AM2.1.1.04. In Situ Powder Diffraction Studies of High-Pressure GasLoading in Metal-Organic Frameworks A.A. Yakovenko; G. Halder

11:20-11:40 AM2.1.1.05. Ultrasmall Angle X-ray Scattering (USAXS) and Wide-AngleX-ray Scattering (WAXS) Studies on the Complex Metal HydrideNaAlH4 T. Dobbins; J. Ilavsky; C. Bennett; J. Torres

9:00 AM-12:00 PM, Independence AB (Sheraton Hotel), 2.1.4. Publication Practices, Lecture

9:00-9:30 AM2.1.4.01. Publication of a thousand structures a day. S.C. Ward; C.R.Groom; P.A. Wood

9:30-10:00 AM2.1.4.02. On the proper Reporting and Archival of Crystal StructureData A. Spek


10:30-11:00 AM 2.1.4.03. Crystallography from all sides P.E. Fanwick

11:00-11:30 AM 2.1.4.04. The Role of IUCr Journals in the Chemical Space A.J. Blake

9:00 AM-12:00 PM, Freedom Ballroom (Sheraton Hotel), 2.1.5. Structural Dynamics, Lecture

9:00-9:30 AM2.1.5.01. Time-Resolved (Serial) Crystallography at the Synchrotronand at the X-ray FEL M. Schmidt

9:30-10:00 AM

2.1.5.02. Time resolved studies of molecular triplet states. Scaling ofmulti-crystal data sets and results

Philip Coppens and Bertrand FournierChemistry Department, University at Buffalo, SUNY, Buffalo, NY14260-3000. P. Coppens; B. Fournier


10:30-10:45 AM2.1.5.03. Studies of Enzyme and Photoreceptor Dynamics G.N.Phillips Jr.; J.A. Clinger; J.L. Olmos Jr.; M.D. Miller

10:45-11:00 AM2.1.5.04. Fourier-transform inelastic x-ray scattering using FreeElectron Laser pulses M. Trigo; D. Zhu; D. Reis

11:00-11:15 AM2.1.5.05. Flexibility and structural studies of antibodies withcrosslinked antigens. D.T. Gallagher; I. Karageorgos

11:15-11:30 AM

2.1.5.06. Ligand Substitution and Guest Exchange in a Metal-OrganicFramework Monitored by in situ X-ray Diffraction Techniques J. Cox;I. Walton; C. Benson; E. Sylvester; G. Bateman; T. Mitchell; Y. Chen;J.B. Benedict

11:30-11:55 AM2.1.5.07. Frontiers in conformational mapping of molecular machinesin biology A. Dashti; P. Schwander; A. Hosseinizadeh; R. Fung; H.Liao; W. Li; J. Frank; A. Ourmazd

12:00 PM-1:00 PM, Philadelphia South (Sheraton Hotel), Fiber Diffraction, Scientific InterestGroup (SIG)

12:00 PM-1:00 PM, Philadelphia North (Sheraton Hotel), Joint Neutron Materials & PowderSIG Meeting, Scientific Interest Group (SIG)

12:00 PM-1:00 PM, Independence AB (Sheraton Hotel), Young Scientists SIG Meeting,Scientific Interest Group (SIG)

1:30 PM-5:00 PM, Independence AB (Sheraton Hotel), 2.2.1. Advances in Multi-crystalApproaches and Serial Crystallography, Lecture

1:30-2:00 PM 2.2.1.01. What's different about XFEL crystallography ? J.C. Spence

2:00-2:30 PM 2.2.1.02. Using all your data in spite of non-isomorphism J. Holton

2:30-3:00 PM2.2.1.03. Recovering protein crystal orientation from "unindexible"data frames J. Wierman; T. Lan; M. Tate; H. Philipp; V. Elser; S.Gruner


3:30-4:00 PM2.2.1.04. Serial Crystallography on Beamline P14@PETRAIII G.P.Bourenkov; I. Karpics; t.R. schneider

4:00-4:30 PM2.2.1.05. Multicrystal data collection and analysis at Diamond LightSource D. Axford; A. Warren; R. Gildea; J. Foadi; J. Trincao; R.L.Owen; G. Winter; G. Evans

4:30-5:00 PM2.2.1.06. Lower-Energy Native-SAD Phasing from Multiple CrystalsQ. Liu; W. Hendrickson

1:30 PM-5:00 PM, Freedom Ballroom (Sheraton Hotel), 2.2.3. How I Spent my SummerVacation: Experiences Derived from Small Molecule Summer Schools, Lecture

1:30-1:40 PM Introductory Remarks

1:40-2:10 PM2.2.3.01. Crystallography at Remote Undergraduate Institutions From Simplicity to Sophistication S.K. Hurst; S. Kruse

2:10-2:30 PM2.2.3.02. An investigation of cationic bis-cyclometalated iridiumcomplexes through X-ray crystallography L.A. Mitchell; K.J. Suhr; L.D.Bastatas; Y. Shen; J.D. Slinker; B.J. Holliday

2:30-2:30 PMCrystal Engineering of the Metal-Metal Bond: New Developments inMaterial Design C. Durr; M.H. Chisholm; T.F. Spilker


3:00-3:30 PM2.2.3.04. Coming back to crystallography: How the ACA SummerSchool helped start a new direction in research and teaching D.H.Johnston

3:30-3:50 PM

2.2.3.05. How One Summer Vacation Created an Active ResearchProgram for a Novice Crystallographer, Working with UndergraduateResearchers, and in Direct Possession of a Single-Crystal X-rayDiffractometer J.P. Lee

3:50-4:10 PM2.2.3.06. Mineral Crystallography: unexpected applications ofknowledge gained from a small molecule summer school N.R. Valdez

1:30 PM-5:00 PM, Independence CD (Sheraton Hotel), 2.2.2. Materials Discovery andCrystal Growth, Lecture

1:30-2:00 PM2.2.2.01. Octahedral tilting and cation ordering in layered perovskitesP.M. Woodward; A. Sharits; R. Morrow

2:00-2:20 PM2.2.2.02. A New Family of Compounds with Distorted Diamond-likeStructures. J.A. Aitken; C.W. Sinagra; J.A. Brant; J. Zhang; K.A.Rosmus

2:20-2:40 PM

2.2.2.03. Syntheses, Crystal Chemistry and Electronic Properties ofA14Cd1+xPn11 Compounds (0 x 0.27(1); A = Sr, Eu; Pn = As,Sb): Non-stoichiometric Compositions Arising from SynergisticElectronic and Size Effects J. Makongo Mangan; S. Bobev

2:40-3:00 PM2.2.2.04. Defects and magnetism in (BaF)2Fe2-xQ3 (Q=S,Se) J.Allred; M. Sturza; C. Malliakas; D.E. Bugaris; F. Han; D. Chung; M.G.Kanatzidis


3:30-4:00 PM2.2.2.05. Crystal Chemistry and Thermoelectric Properties of Ba-M-P(M= Ni, Cu, Au) Clathrates:Phase Transformations Induced by Electron Doping K. Kovnir

4:00-4:30 PM2.2.2.06. Structure-property relationships in magnetic intermetallicsgrown from rare earth-rich melts S. Latturner; S. Zhou; H. Cao

4:30-5:00 PM2.2.2.07. Group IV Graphane Analogues J. Goldberger; S. Jiang; M.Arguilla

1:30 PM-5:00 PM, Philadelphia South (Sheraton Hotel), 2.2.5. Mechanistic & SpectroscopicStructural Enzymology, Lecture

1:30-2:00 PM

2.2.5.01. Protein flavinylation in bacteria: Structural and biochemicalinsights from the catalytic core of periplasmic flavin-trafficking protein(Ftp) and its flavoprotein product. D.R. Tomchick; R.K. Deka; C.A.Brautigam; W.Z. Liu; M.V. Norgard

2:00-2:30 PM2.2.5.02. The role of oxyanion holes in the structure and function oftype III polyketide synthases C. Stewart; J.P. Noel

2:30-3:00 PM

2.2.5.03. Orthoester cyclization in orthosomycin biosynthesis iscatalyzed by a family of nonheme iron, -ketoglutarate dependentenzymes K. McCulloch; E. McCranie; J. Mathieu; B. Gitschlag; B.Bachmann; T.M. Iverson


3:30-4:00 PM2.2.5.04. Crystal structure of a type II extradiol dioxygenase PraA T.Senda; K. Sugimoto; M. Senda

4:00-4:20 PM2.2.5.05. High Resolution Crystal Structure of the Cancer-AssociatedCarbonic Anhydrase IX B.P. Mahon; J.M. Driscoll; L. Socorro; F.Tondnevis; A. Bennett; R. McKenna

4:20-4:40 PM2.2.5.06. Locating Hydrogen Atoms in Enzymes Using NeutronProtein Crystallography F. Meilleur

4:40-5:00 PM

2.2.5.07. Conservation and Functions of Carbon-Oxygen HydrogenBonding in AdoMet-Dependent Methyltransferases R. Trievel; S.Horowitz; L.M. Dirk; J.D. Yesselman; U. Adhikari; P.A. Del Rizzo; R.A.Mehl; R.L. Houtz; S. Scheiner; H. Al-Hashimi

1:30 PM-4:30 PM, Philadelphia North (Sheraton Hotel), 2.2.4. SAS with Membranes andMembrane Proteins, Lecture

1:30-2:00 PM2.2.4.01. Bicontinuous Microemulsions: A Valuable BiomembraneMimetic System for Melittin V.S. Urban; D.G. Hayes; H.M. O'Neill; S.Pingali; R. Ye; R.N. Dunlap

2:00-2:25 PM2.2.4.02. Determining Micelle and Bicelle Size and Shape with Small-angle Scattering R. Oliver; J. Lipfert; L. Columbus

2:25-3:00 PM2.2.4.03. Probing membrane protein structure with small-anglescattering and molecular modeling M.F. Lensink; F. Gabel; B. Clantin;V. Villeret; F. Jacob-Dubuisson; C. Ebel


3:30-4:05 PM2.2.4.04. Asymmetric liposomes: assessing lipid composition,distribution and structure D. Marquardt; F.A. Heberle; M. Doktorova;B. Geier; J. Katsaras; G. Pabst

4:05-4:30 PM2.2.4.05. Water Distribution in Membrane Fusion IntermediatesRevealed by Neutron Membrane Diffraction S. Qian

5:00 PM-6:00 PM, Independence AB (Sheraton Hotel), Light Sources SIG Meeting, ScientificInterest Group (SIG)

5:00 PM-6:30 PM, Philadelphia North (Sheraton Hotel), 2.3.1. Professional Development:Communicating Your Science, Lecture

5:00-5:18 PM

2.3.1.01. Understanding your audience: advice from AmericanChemical Society Science & the Congress Project and also ChemistryChampions to help craft better messages for the general public. D.Gentleman

5:18-5:36 PM2.3.1.02. Considerations for communicating science in a regulatoryforum. C. MacElrevey

5:36-5:54 PM 2.3.1.03. Communicating science to the public. A. Issa

5:54-6:12 PM2.3.1.04. Effective communication between the extramural scientificcommunity the NIH. J. Gindhart

6:12-6:30 PM2.3.1.05. Improving impact and clarity in your written communications.K. Sippel

5:30 PM-7:30 PM, Liberty Ballroom (Sheraton Hotel), PII. POSTER SESSION II, Poster

5:30 PM-7:30 PMM01. An Efficient Synthesis, Crystal Structure Determination andBiological Activity of Some Novel Esters Carrying Benzofuran MoietyC. Chidan Kumar; S. Chandraju; C. Quah; H. Fun

5:30 PM-7:30 PMM02. New insights into allosteric regulation of pyruvate carboxylasefrom the structure of the Aspergillus nidulans enzyme A.D. Lietzan;M. St. Maurice

5:30 PM-7:30 PMM03. Superstructure Formation in GdFexSi2 (x~0.7): Scaffolding as aDesign Principle in Intermetallics A. Vinokur; D.C. Fredrickson

5:30 PM-7:30 PMM04. Structural Basis of Stability of Lig domains provides a Rationalefor Improved Vaccines A. Mohd

5:30 PM-7:30 PMM05. Structural Elucidation of the Binding of the Vav-SH2 Domain tothe EphA2 Cytoplasmic Region K. Zhang

5:30 PM-7:30 PMM06. A blurring of the distinction between disorder and allo twinningA.D. Rae; E.S. Taher; M.G. Banwell; A.C. Willis

5:30 PM-7:30 PMM07. Potential inhibitors involved in glioma K. Bardhi; K. Bardhi; H.J.Bernstein; P.A. Craig

5:30 PM-7:30 PMM08. I7

: From Stoichiometry to Structural Unit A.J. Blake; J.P. Tidey;A.E. Lisle; M. Schrder

5:30 PM-7:30 PMM09. Alexandrite Effects and Pseudosymmetry in Aluminum OxalatesA. Nimthong

5:30 PM-7:30 PMM10. Single Crystal Growth of Ca12Al14O33 Mayenite C. Rawn; E.Barlow; J. Salasin

5:30 PM-7:30 PM

M11. Cloning, recombinant expression and crystallization ofProliferating Cell Nuclear Antigen from radioresistant archaeonThermococcus gammatolerans A.A. Venancio-Landeros; C. Cardona-Flix; E. Rudio-Piera

5:30 PM-7:30 PMM12. Systematic Multi-Crystal Data Collection and Processing inJBluIce S. Pothineni; N. Venugopalan; C.M. Ogata; M.C. Hilgart; S.Stepanov; R. Sanishvili; M. Becker; J.L. Smith; R.F. Fischetti

5:30 PM-7:30 PMM14. Temperature and Cooling Rate as Crystallographic VariablesD. Moreau; H. Atakisi; J. Hopkins; R.E. Thorne

5:30 PM-7:30 PMM15. Mechanical Force Induced Single-Crystal-to-Single-CrystalPhase Transition in Cocrystal CuQ2-TCNQ G. Liu; X. Tao; J. Liu; Y.Liu

5:30 PM-7:30 PMM16. SONICC sensitivity for protein crystal detection increased by 5xutilizing dye staining or labeling E. Gualtieri; T. Maier

5:30 PM-7:30 PMM17. Expression and purification of CD62L. G. Holzapfel; H. Brown;J. Kononchik; N. Stutzman; P. Sun

5:30 PM-7:30 PMM18. Non-covalent interactions within complexes containing trimericperfluoro-ortho-phenylenemercury E. Reinheimer; R. Groeneman; S.Fisher

5:30 PM-7:30 PMM19. Phenix-Amber: integrated molecular mechanics for improvedcrystallographic refinement P.A. Janowski; N. Moriarty; D. Case; P.Adams

5:30 PM-7:30 PMM20. Using template-directed co-crystallization to facilitate dynamicmolecular motion and thermal expansion in the organic solid state E.Reinheimer; R. Groeneman; K. Hutchins; L. MacGillivray

5:30 PM-7:30 PM

M21. Experimental Strategies for Functional Annotation andMetabolism Discovery: Targeted Screening of Solute Binding Proteinsand Unbiased Panning of Metabolomes M.W. Vetting; N. Al-Obaidi;S. Zhao; B. SanFrancisco; J. Kim; D.J. Wichelecki; J.T. Bouvier; H.Vu; X. Zhang; R. Dmitry; J. Love; B.S. Hillerich; R.D. Seidel; R.J.Quinn; A.L. Osterman; J.E. Cronan; M.P. Jacobson; J.A. Gerlt; S.C.Almo

5:30 PM-7:30 PMM22. Chiral BODIPYs F.R. Fronczek; A.L. Nguyen; K.M. Smith; M.H.Vicente

5:30 PM-7:30 PMM23. Doping Effects on Thymine Monohydrate Crystals E.S. Koch; K.McKenna; J.A. Swift

5:30 PM-7:30 PMM24. Structures of the Middle East Respiratory SyndromeCoronavirus 3C-Like Protease, an Anti-Viral Drug Target G. Lountos;D. Needle; D.S. Waugh

5:30 PM-7:30 PMM26. Structural details of the OxyR peroxide-sensing mechanism I.Jo; I. Chung; J. Kim; S. Song; J. Ahn; S. Na; Y. Cho; N. Ha

5:30 PM-7:30 PMM27. Rapid experimental SAD phasing and hot-spot identification witha halogenated fragment J.D. Bauman; J. . Harrison; E. Arnold

5:30 PM-7:30 PMM28. Characterization of Dihydroorotase from Methanococcusjannaschii J. Vitali; A. Singh; M. Colaneri

5:30 PM-7:30 PMM29. The Structural Beauty of Nanoparticles. The so far LargestCrystal Structure of a Gold Nanoparticle: Au133(SC6H4

tBu)52 K.Kirschbaum; C. Zeng; Y. Chen; K. Appavoo; .Y. Sfeir; R. Jin

5:30 PM-7:30 PMM30. Safer insecticides: Structure-guided drug design based fromchimeric AChBPs J. Bobango; C. Huckabay; S. Wensel; T.T. Talley

5:30 PM-7:30 PMM31. A phenomenon of co-crystallization of diastereomers ofcyanoximes and their metal complexes. N.N. Gerasimchuk; I. Guzei

5:30 PM-7:30 PM

M32. Breaking Barriers in RNA Structural Biology using SerialFemtosecond X-ray Crystallography J.R. Stagno; D. Wendel; Y. Liu;C. Conrad; Y. Bhandari; N. Zatsepin; P. Yu; G. Subramanian; G.Nelson; T. White; U. Weierstall; A. Barty; H. Chapman; X. Ji; P.Fromme; J. Spence; Y. Wang

5:30 PM-7:30 PMM33. Investigation of Polymorphs and Solid-State Phase Transition inCocrystal: CuQ2-TCNB and PdQ2-TCNQ J. Liu; G. Liu; X. Tao

5:30 PM-7:30 PMM34. Structural Basis for the Potency and Selectivity of the GSK-3Inhibitor PF-367 J. Chang; M. Griffor; M. Ammirati; Y. Che; R.Kurumbail

5:30 PM-7:30 PM

M35. Dynamic Reaction Pathways in the Single-Crystal-to-Single-Crystal Solid-State Diels-Alder Reaction of N,N-bis(cyclobutylimino)-1,4-dithiin with 9-Vinylanthracene S. Khorasani; M.A. Fernandes;D.C. Levendis

5:30 PM-7:30 PMM36. A crystallographic detective story: elucidation of the oxetanocinbiosynthetic pathway J. Bridwell-Rabb; A. Zhong; H. Liu; C.L.Drennan

5:30 PM-7:30 PM

M37.PDBe - Bringing Structure to Biology S. Velankar; A. Gutmanas; Y.Alhroub; J. Berrisford; M. Conroy; J. Dana; M. Fernandez Montecelo;G. van Ginkel; S. Gore; I. Langerstedt; S. Mir; A. Mukhopadhyay; T.Oldfield; A. Patwardhan; G. Sahni; E. Sanz-Garcia; S. Sen; R.Slowley; M. Wainwright; G. Kleywegt

5:30 PM-7:30 PMM38. Crystal structure of -N-acetylglucosaminidase CbsA fromThermotoga neapolitana J. Ahn; S. Na; I. Jo; N. Ha

5:30 PM-7:30 PMM40. An Investigation of the Electron Density of a Jahn-TellerDistorted Cr(II) Cation. J. Bacsa

5:30 PM-7:30 PMM42. Crystal structures and RNA binding of two Hfq homologs fromAquifex aeolicus K. Stanek; P. Randolph; J. Patterson; C. Mura

5:30 PM-7:30 PMM43. Potential Application of Expand-Maximize-Compress (EMC)Algorithm on Synchrotron-based Serial Crystallography T. Lan; J.Wierman; M. Tate; H. Philipp; V. Elser; S. Gruner

5:30 PM-7:30 PMM44. X-ray Diffraction, Raman, and IR spectroscopy as probes forquantifying supramolecular assembly in the uranyl solid state K.Carter; C. Cahill

5:30 PM-7:30 PMM45. A molecular view of stress relief in Bartonella quintana: Crystalstructures PhyR, PhyR complexed with NepR, and RpoE complexedwith NepR. D.M. Dranow

5:30 PM-7:30 PMM46. THE SMALL-ANGLE X-RAY SCATTERING CORE FACILITYOF CENTER FOR CANCER RESEARCH OF NATIONAL CANCERINSTITUTE L. Fan; X. Fang; Y. Wang

5:30 PM-7:30 PMM47. Synthesis and Characterization of New Resveratrol Cocrystalswith Improved Physicochemical Properties z. Zhou; w. Li; t. Lu; H.Tong; w. Sun; C. Sun; Y. Zheng

5:30 PM-7:30 PMM48. Serial Crystallography at FELs past development, currentcapabilities and future possibilities M. Messerschmidt; A.P. Mancuso

5:30 PM-7:30 PMM49. GISAXS Pipelines and Analysis A. Hexemer; D. Kumar; A.Sarje; S. Venkatakrishnan; E. Chan; S. Li

5:30 PM-7:30 PMM50. Ionic Liquids as Macromolecule Crystallization Additives M.L.Pusey; J. Barcena; Q. Yuan; J. Ng

5:30 PM-7:30 PMM51. The Crystal Structure of Entrapped 8-HydroxyquinolineMolecules in an Interleaved Hydrogen bonded Zigzag Channel ofSulfamethoxazole Molecules E.K. Owusu-Marfo; A.L. Thompson

5:30 PM-7:30 PMM52. Fragment screening and structural studies of the transcriptionalcofactor VP30 from Ebola M.C. Clifton

5:30 PM-7:30 PMM53. an style="line-height:1.6">The role of PDB-NMA incrystallographypan> M. Tirion

5:30 PM-7:30 PMM54. Recent update on the long-wavelength MX beamline BL-1A atthe Photon Factory N. Matsugaki; D.C. Liebschner; Y. Yamada; M.Hiraki; M. Senda; T. Senda

5:30 PM-7:30 PMM55. C-H activating carboxylation of terminal alkynes with CO2 usingCopper(I) complexes N.P. Rath; M. Trivedi; G. Singh; A. Kumar

5:30 PM-7:30 PMM56. Use of high brilliance, low background SAXS camera for studiesof macromolecular solutions S. Rodrigues; P. Panine; S. Desvergne-Blneau; M. Fernandez-Martinez

5:30 PM-7:30 PMM57. Synthesis, crystal growth, and structural characterization ofnovel Zintl phases of As, Sb and Bi S. Bobev

5:30 PM-7:30 PMM58. A Synchrotron Light Source for Africa (the AfLS) T. Dobbins; S.Mtingwa; K. Evans-Lutterodt; A. Wague; H. Winick; G. Tessema

5:30 PM-7:30 PMM59. New Developments at the Biological Small Angle X-rayScattering Facility BL4-2 at SSRL T. Weiss; T. Matsui; P. Liu; L.Carter

5:30 PM-7:30 PMM60. Lipid-directed cytoskeletal protein oligomerization at sites of celladhesion T. Izard

Tuesday, July 28, 2015

5:30 PM-7:30 PMM61. The High Pressure Response of Uranyl Nano-Cages: Insightson the Roles of Chemistry and Cluster Topology K. Turner; P.C.Burns; R.C. Ewing

5:30 PM-7:30 PM

M62. Spontaneous Dehydration and Polycatenation of 1,3,5-Benzenetricarboxylic Acid Lattices: A model system for understandingthe crystallization of 1,3,5-tris(4-carboxyphenyl)benzene A. Goltz; R.Wiscons; M. Zeller; J. Rowsell

5:30 PM-7:30 PMM63. Structural chemistry of tetravalent and hexavalent actinide-furoicacid complexes N. Vanagas; K.E. Knope

8:00 PM-10:00 PM, Philadelphia North (Sheraton Hotel), 2.3.2. Would You Publish This?,Lecture

8:00-8:15 PM Introduction to "Would You Publish This?" A.G. Oliver

8:15-8:30 PM2.3.2.01. The Same But Chillier Should We Publish? C.H.Schwalbe; D. Ouyang; M. Ramirez

8:30-8:45 PM2.3.2.02. Nobody Told Me There'd Be Structures Like These C.Slebodnick; R. Piemonte; C. Carfagna; P. Deck

8:45-9:00 PM2.3.2.03. Built Like A MOF - But A Purely Organic Cage L. Daniels; G.Zhang; O. Presly; F. White; I. Oppel; M. Mastalerz

9:00-9:15 PM2.3.2.04. Crystals Undergoing Transformations: Ugly yet useable?Hideous but helpful? Appalling and appealing! C.M. Beavers; S.J.Teat

9:15-9:30 PM2.3.2.05. Would you publish a tetrahedral Pt(II) complex withR=2.7%? F.R. Fronczek; S. Pakhomova


8:00 AM-8:45 AM, Freedom Ballroom (Sheraton Hotel), P3. Margaret Etter Early CareerAward and Lecture: Yan Jessie Zhang, Lecture

8:00-8:45 AMP3.01. Natures Imitation Game: Decipher the Combinatorial CTDCode for Eukaryotic Transcription Y.J. Zhang

9:00 AM-12:00 PM, Philadelphia South (Sheraton Hotel), 3.1.1.. Etter Early CareerSymposium, Lecture

9:00-9:20 AM3.1.1.01. A Combined SAXS and NMR Analysis of the PartiallyUnfolded State of the Cataract-Causing V75D Mutant of Human D-Crystallin M. Whitley; Z. Xi; J. Bartko; A. Gronenborn

9:20-9:40 AM3.1.1.02. Powder Diffraction of Technetium at Non-AmbeintConditions D.S. MAST; E. Kim; E. Siska; F. Poineau; K.R.Czerwinski; B. Lavina; P.M. Forster

9:40-10:00 AM3.1.1.03. High Pressure In Situ Diffraction Study of A2M3O12compounds J.N. Gadient; L. Young; X. Gao; C. Lind-Kovacs


10:30-10:50 AM

3.1.1.04. Snapshots of Ligand Entry, Malleable Binding, and InducedHelical Movement in P-glycoprotein A.P. McGrath; P. Szewczyk; H.Tao; M. Villaluz; S.D. Rees; S. Lee; R. Doshi; I.L. Urbatsch; Q. Zhang;G. Chang

10:50-11:10 AM3.1.1.05. Serum albumin the metal binding hub K.B. Handing; I.G.Shabalin; M. Chruszcz; W. Minor

11:10-11:30 AM3.1.1.06. Towards improved crystallography through moleculardynamics P.A. Janowski; J. Holton; P. Afonine; T. Terwilliger; D. Case

11:30-11:50 AM3.1.1.07. Structure and Function in the Acetoacetate Decarboxylase-Like Superfamily L. Mueller; N. Silvaggi

11:50-12:00 PM

3.1.1.08. Micro-Electron Diffraction (Micro-ED) StructureDetermination of Type II Diabetes-Related Peptides P.A. Krotee; J.A.Rodriguez; M. Sawaya; D. Cascio; F. Reyes; D. Shi; J. Hattne; B.Nannenga; L. Jiang; D.S. Eisenberg; T. Gonen

9:00 AM-12:00 PM, Freedom Ballroom (Sheraton Hotel), 3.1.3. Hot Structures I - IntracellularProtein Regulons, Lecture

9:00-9:40 AM3.1.3.01. Crystal structure of the COP9 signalosome a masterregulator of intracellular protein degradation R. Bunker

9:40-10:00 AM

3.1.3.02. The 2.2 X-ray Crystal Structure of the CytoplasmicDomain of the Inner Membrane Sigma Regulator, PupR, Reveals aPotential Helical Dimer C.L. Colbert; J. Jensen; D.B. Neau; H. Zhao;S. Chakavarthy; S. Sinha


10:30-11:00 AM3.1.3.03. The structure and regulation of human muscle -actinin K.Djinovic Carugo; E. De Almeida Ribeiro; N. Pinotsis; A. Salmazo; J.Kostan

11:00-11:20 AM3.1.3.04. Structural and Functional Characterization of a novelcomplement inhibitor from the Leishmania vector Lutzomyialongipalpis O. Asojo; A. Kelleher; Z. Liu; J. Valenzuela; B. Zhan

11:20-11:40 AM3.1.3.05. Structural analysis of inositol pyrophosphate kinasesuncovers opportunities for probe development. H. Wang

11:40-12:00 PM3.1.3.06. An Unexpected Duo: Rubredoxin binds nine TPR motifs toform LapB, an essential regulator of lipopolysaccharide synthesisC.C. Prince; Z. Jia

9:00 AM-11:50 AM, Independence AB (Sheraton Hotel), 3.1.2. Local Structure and ComplexMaterials, Lecture

9:00-9:20 AM3.1.2.01. Insights into Structural and Chemical Evolution in NovelEnergy Storage Materials Using Hard X-Rays O.J. Borkiewicz; K.M.Wiaderek; P. Chupas; K.W. Chapman

9:20-9:40 AM3.1.2.02. Pair Distribution Function analysis for position resolved insitu studies of heterogeneous materials K.M. Jensen; S.J. Billinge

9:40-10:00 AM3.1.2.03. Local-Structure Refinements Using Multiple MeasurementTechniques I. Levin


10:50-11:10 AM3.1.2.05. Multiply twinned nanoparticles and intercalated nanosheets:nanostructure studies beyond the unit cell K. Page; H. Wang; D. Olds;C. Silkwood; H. Nakotte; E. Fohtung

11:10-11:30 AM3.1.2.06. An Exotic Ruthenium Oxide Stabilized as a NanocrystallineGlass M.D. Donakowski; I.R. Pala; P.A. DeSario; C.N. Chervin; J.W.Long; D.R. Rolison

11:30-11:50 AM3.1.2.07. Local and Average Structures of Complex Cation-OrderedOxides, LaBaMn2O5 and Ba2Y0.5Fe1.5O5 C. Thompson

9:00 AM-11:30 AM, Independence CD (Sheraton Hotel), 3.1.4. Standard Practices inCrystallography I: Data Collection Strategies, Lecture

9:00-9:30 AM3.1.4.01. The challenges of soft X-rays: data collection above 3 wavelength D.C. Liebschner; N. Matsugaki; M. Senda; Y. Yamada; T.Senda

9:30-10:00 AM3.1.4.02. Fast native-SAD phasing for routine macromolecularstructure determination T. Weinert; V. Olieric; E. Panepucci; M. Wang


10:30-11:00 AM3.1.4.03. Tricks for Success using Zinc SAD phasing C.C. Prince; Z.Jia

11:00-11:30 AM3.1.4.04. Theory and practice in X-ray diffraction data processing D.Borek; M. Cymborowski; W. Minor; Z. Otwinowski

11:30-1:30 PM Lunch Break

9:00 AM-12:00 PM, Philadelphia North (Sheraton Hotel), 3.1.5. Structural Modeling for SAS,Lecture

9:00-9:30 AM3.1.5.01. Joining Neutron Scattering and Simulations for ComplexBiomembranes X. Cheng

9:30-10:00 AM3.1.5.02. Massively parallel computation for small angle scattering H.Zhang; E. Brookes; J.E. Curtis


10:30-11:20 AM3.1.5.03. Probing the Spatial Organization of Lipid Membranes withSANS F.A. Heberle; V.N. Anghel; M. Doktorova; B. Geier; D.Marquardt; G. Pabst; J. Katsaras

11:20-11:40 AM3.1.5.04. Functional cycle of a eukaryotic ribonuclease III: Solutionstructures of Saccharomyces cerevisiae Rnt1p H. Song; X. Fang; Y.Wang; X. Ji

11:40-12:00 PM3.1.5.05. Structural Analysis of The E. coli Pol III Clamp LoaderSliding Clamp Complex F. Tondnevis; T. Matsui; T. Weiss; L. Bloom;R. McKenna

12:00 PM-1:00 PM, Freedom Ballroom (Sheraton Hotel), BioMac SIG Meeting, ScientificInterest Group (SIG)

12:00 PM-1:00 PM, Independence CD (Sheraton Hotel), Joint Small Molecules & ServiceSIG Meeting, Scientific Interest Group (SIG)

12:00 PM-1:00 PM, Philadelphia North (Sheraton Hotel), Small Angle Scattering SIGMeeting, Scientific Interest Group (SIG)

1:30 PM-5:00 PM, Philadelphia North (Sheraton Hotel), 3.2.5. Evolving Techniques for SAS,Lecture

1:30-1:55 PM3.2.5.01. SAXS/WAXS, crystallisation and sample robustness for timeresolved experiments W. Bras

1:55-2:20 PM3.2.5.02. Recent Developments in Laboratory SAXS Instrumentation -What Is Possible Today? P. Worsch; A. Keilbach; G. Langenbucher

2:20-2:40 PM3.2.5.03. SAXS Insights into Meso- and Nano-Structure Dynamics inIron-Based Electrochemical Conversion Reactions K.M. Wiaderek;O.J. Borkiewicz; P. Chupas; K.W. Chapman

2:40-2:40 PM3.2.5.04. SAXS, Polymer Nanocomposites, Wetting PhaseTransitions, and Nanoparticle Dispersion What have we learned sofar? D. Green


3:10-3:35 PM3.2.5.06. Microstructure evolution of thin films examined by GISAXSwith tender X-rays H. Okuda; T. Yamamoto; Y. Kitajima; S. Sakurai;H. Ogawa; N. Shimizu; N. Igarashi

3:35-3:55 PM3.2.5.07. Characterizing Directed Self Assembly Block Copolymerswith Soft X-rays D.F. Sunday; R. Kline

3:55-4:20 PM3.2.5.05. Integration of SAXS with Complementary Techniques forStructural Characterization of Large Biomolecular Complexes T. Madl

4:20-4:40 PM3.2.5.08. Polarized resonant X-ray scattering to probe orientation andalignment of organic molecules B.A. Collins

1:30 PM-5:00 PM, Freedom Ballroom (Sheraton Hotel), 3.2.3. Hot Structures fromMembrane Systems, Lecture

1:30-2:00 PM3.2.3.01. A scissor blade-like closing mechanism implicated intransmembrane signaling in a Bacteroides hybrid two-componentsystem E.C. Lowe; A. Basl; M. Czjzek; S. Firbank; D. Bolam

2:00-2:30 PMThe glove-like structure of the integral membrane protein TatC W.Clemons

2:30-3:00 PM 3.2.3.03. A Hot Structrue With A Cold Start. AlgE v.2 M. Caffrey


3:30-4:00 PM

3.2.3.04. High-resolution crystal structures of the influenza AM2proton channel: insights into water networks J. Thomaston; R.Woldeyes; A. Yamashita; E. Nango; R. Tanaka; J.S. Fraser; W.DeGrado

4:00-4:20 PM3.2.3.05. A conserved solvent network in the transmembrane regionof activated opsin is essential for receptor activation E. Blankenship;D.T. Lodowski

4:20-4:40 PM3.2.3.06. Structural and Mechanistic Insights into the Recruitment ofTalin by RIAM in Integrin Signaling Y. Chang; H. Zhang; J. Franco-Barraza; M. Brennan; T. Patel; E. Cukierman; J. Wu

4:40-5:00 PM3.2.3.07. Tie2 Receptor Dimerization is Mediated by its ExtracellularFNIII Domains J.O. Moore; K.M. Ferguson; M.A. Lemmon

1:30 PM-5:00 PM, Philadelphia South (Sheraton Hotel), 3.2.1. Important Science from SmallMolecule Structures - Part I, Lecture

1:30-1:45 PM3.2.1.01. The Valence Multipole Model, Using small molecules tocreate a new bond energy expression for Molecular Mechanics M.C.Wander; B.R. Bickmore; C. Andros

1:45-2:00 PM3.2.1.02. Molecular magnets combining molecular, nuclear andmagnetic chirality J. Campo; F. Palacio; C. Saenz de Pipaon; G.J.McIntyre; k. Inoue

2:00-2:20 PM3.2.1.03. Single crystal to Single crystal transition of a Spin Crossovermaterial: Observation & Analysis C.M. Beavers; G. Aromi; J. SanchezCosta

2:20-2:40 PM3.2.1.04. Single-crystal to single-crystal structural and chemicaltransformation of an iron-based molecular electrocatalyst forhydrogen oxidation and production X. Wang; R. Bullock; T. Liu

2:40-3:00 PM

3.2.1.05. Experimental Establishment of Mother-Daughter OrientationRelationships and Twinning Effects in Phase Transitions : A GreatLegacy from Jack Gougoutas and Peggy Etter B.M. Foxman; L.C.Lorson; A.H. Nguyen; S.R. Posner; O. Tai; A.R. Gell


3:30-3:50 PM3.2.1.06. Surveying the higher dimensions of the aperiodic compositenonadecane/urea G.J. McIntyre; M. Leme-Cailleau; B. Toudic

3:50-4:10 PM3.2.1.07. A view on electron density maps from computationalhomogeneous catalysis F. Maseras

4:10-4:30 PM3.2.1.08. Brominebromine bond formation in the cocrystallization ofC70 with bromobenzenes M. Olmstead; K. Ghiassi; S. Chen; A.Balch; J. Wescott

4:30-5:00 PM3.2.1.09. Important New Discoveries in Nanosized Homo-/Hetero-Palladium CO/PR3 Clusters with Unexpected Implications L.F. Dahl;J.D. Erickson; E.G. Mednikov; S.A. Ivanov

1:30 PM-5:00 PM, Independence AB (Sheraton Hotel), 3.2.2. Powder Pair DistributionFunction and Pharmaceuticals, Lecture

1:30-2:00 PM3.2.2.01. Amorphous or nanocrystalline? Advances in the totalscattering pair distribution function methods for characterizingamorphous and nanocrystalline pharmaceuticals S. Billinge

2:00-2:30 PM3.2.2.02. In house and synchrotron based atomic PDF studies on non-crystalline drugs: is there room for both ? V. Petkov

2:30-3:00 PM

3.2.2.03. Insights into the recrystallization behavior of amorphous andcrystalline lactose by total scattering pair distribution function analysis(TSPDF) and solid state nuclear magnetic resonance spectroscopy(SSNMR) E. Cheung; M.W. Terban; S. Billinge; P. Quan


3:30-4:00 PM3.2.2.04. Structure analysis of molecular systems using atomic pairdistribution function P. Juhas; D. Prill; M.U. Schmidt; S. Billinge

4:00-4:30 PM3.2.2.05. Characterization and Structural Assessment ofPharmaceutical Solids by Total Scattering A.Y. Sheikh

4:30-5:00 PM3.2.2.06. Crystal Structures of Large-Volume CommercialsPharmaceuticals with Z'>1 J. Kaduk; J. Reid; R. Papoular; K. Zhong;A. Gindhart; T. Blanton

1:30 PM-5:00 PM, Independence CD (Sheraton Hotel), 3.1.4. Standard Practices inCrystallography II: Data Collection Strategies, Lecture

1:30-2:00 PM3.1.4.05. Filling the Gaps: Data Collection Strategies for CollectingDiffuse Scatter and Bragg Data from Low Symmetry Space GroupsM.D. Miller; G.N. Phillips

2:00-2:30 PM3.1.4.06. Back to the Future: Revisiting and Improving InterleavedProtocols for Experimental Phasing, from Design to Processing. G.Bricogne; C. Flensburg; W. Paciorek; P. Keller; C. Vonrhein

2:30-3:00 PM 3.1.4.07. Data collection strategy for macromolecules Z. Dauter


3:30-4:00 PM3.1.4.08. Fast Screening and Data Collection with the PHOTON 100Detector B.C. Noll

4:00-4:30 PM3.1.4.09. Case Specific Optimization of Data Collection Strategy. L.H.Straver

4:30-5:00 PM 3.1.4.10. Data scaling with SADABS and TWINABS G.M. Sheldrick

5:00 PM-6:00 PM, Philadelphia North (Sheraton Hotel), Business Meeting for Members,Scientific Interest Group (SIG)

5:00 PM-6:00 PM, Freedom Ballroom (Sheraton Hotel), 3.3.1. Evening Session on Diversity,Lecture

5:00-5:20 PM 3.1.1.01. Does diversity-training work? C.L. Drennan

5:20-5:20 PM3.1.1.02. Connecting Scientists to Students After School to CombatUnderrepresentation S.B. Wortel

5:20-5:40 PM3.1.1.03. Diversity in STEM: Tips, Resources, and Opportunities fromAAAS D.L. Rossiter

5:30 PM-7:30 PM, Liberty Ballroom (Sheraton Hotel), PIII. POSTER SESSION III, Poster

5:30 PM-7:30 PMT01. 14 years of neutron crystallography at the ProteinCrystallography Station (PCS) J. Chen; J. Bacik; C. Unkefer

5:30 PM-7:30 PMT03. Active site binding flexibility is demonstrated by multiplestructures of the same crystal form of porphobilinogen synthase U.D.Ramirez; L. Stith; T. Selwood; E.K. Jaffe

5:30 PM-7:30 PM

T04. Anything But Isomorphism: Molecular Symmetry vs.Crystallographic Symmetry in Some Isomeric Trifluoromethyl-Substituted bis-Benzylideneanilines W.H. Ojala; A.P. Monson; A.L.Gerten; S.N. Larson

5:30 PM-7:30 PMT05. BioSAXS-2000 Advances for Biological Solution Scattering inthe Home Laboratory M. Del Campo; A.R. Criswell; C. Acheson; T.Hendrixson; K. Sasaki

5:30 PM-7:30 PMT06. Bridging the length scales: Tools to span the information beforethe Bragg peaks and beyond H. Wang; D. Olds; K. Page

5:30 PM-7:30 PMT07. CCP4 web services V. Uski; C. Ballard; R. Keegan; E. Krissinel;A. Lebedev; D. Waterman; M. Wojdyr; F. Long; J. Thomas; N. Pannu;P. Skubk

5:30 PM-7:30 PMT08. Checking intensity corrections on a CCD detector with a fiber-optic taper R. Alkire; F.J. Rotella

5:30 PM-7:30 PMT09. Co-Crystal Structure of Tubulin with PF-06380101, a NovelAuristatin Analogue with Improved Cell Potencies A.H. Varghese; K.Parris; J. Pandit; S. Shanker; C. Song; A. Maderna

5:30 PM-7:30 PMT10. X-ray structural determination of a seleno carbohydrate-proteincomplex with SAD/MAD phasing H. Makyio; T. Suzuki; J.Shimabukuro; M. Kiso; S. Wakatsuki; H. Ando; R. Kato

5:30 PM-7:30 PMT11. Construction and Structural Determination of a Self-AssemblingDNA Macromolecular Crystal C. Simmons; F. Zhang; J.J. Birktoft; y.liu; n. seeman; h. yan

5:30 PM-7:30 PMT13. Crystalline Hydrates: From Two Waters to None withoutStopping at One M. Tomas; R. Gonzlez lvarez; L.R. Falvello; R.Piol

5:30 PM-7:30 PMT15. Diversity and Solubility of Pyrazinamide Cocrystals H.Abourahma; E.J. Johnson; D. Shah; D. Cocuzza; J. Melendez

5:30 PM-7:30 PMT16. dragonfly screen optimizer helps researchers tackletuberculosis C. Luke; J. Jenkins; G. Cochrane; M. Blaszczyk

5:30 PM-7:30 PMT17. Studies in compositional disorder: Rare molecules ascomponents of common crystals. M. Zdilla; S. Vaddypally; S.K.Kondaveeti

5:30 PM-7:30 PMT18.Extended Packing Modes of Quasi-planar CunX2n+2

2- Stacks:Analysis and Application. M. Bond

5:30 PM-7:30 PMT20. Glutamate Racemase from Mycobacterium tuberculosis -structural insights into a new target for antituberculosis drug designK.L. Krause; S. Poen; Y. Nakatani; H. Opel-Reading

5:30 PM-7:30 PMT21. Impact of sequence variability on the function of ParE, a gyraseinhibiting bacterial toxin M. Muthuramalingam; C.R. Bourne

5:30 PM-7:30 PM

T22. Femtosecond crystallography of the CapA inner membraneprotein of Francisella tularensis J.M. Martin Garcia; R.M. Wachter; S.Basu; C. Kupitz ; K. Doerner; J. Spence; H. Chapman; N. Zatsepin; U.Weierstall ; A. Barty; S. Boutet; T. White; R. Kirian; A. Aquila; R.Fromme; M. Hunter; D. James; D. Wang; J. Allen; P. Fromme

5:30 PM-7:30 PMT23. In situ Environment-controlled PXRD Study of Cu-basedCatalysts for the Water-gas Shift Reaction W. Xu; G. Halder

5:30 PM-7:30 PMT24. In situ high-energy synchrotron x-ray diffraction and atomic pairdistribution function studies of nanoalloy catalysts at the cathode ofPEMFCs V. Petkov

5:30 PM-7:30 PMT25. Intensity Enhancement and Background reduction atGM/CA@APS N. Venugopalan; S. Xu; S. Corcoran; D. Ferguson; S.Stepanov; S. Zohar; R.F. Fischetti

5:30 PM-7:30 PM

T26. Investigation Interaction of Amyloid Beta (1-40) with Dimyristoyl-Glycero-Phosphoglycerol and Cholesterol in Lipid Bilayer D.K. Rai; V.Sharma; D. Anunciado; H.M. O'Neill; E. Mamontov; V.S. Urban; W.Heller; S. Qian

5:30 PM-7:30 PM

T27. IYCr 2014 from Paris to Rabat and beyond! M.L. Hackert; H.Dabkowska; M. Dacombe; W. Depmeier; G. Desiraju; S. Garcia-Granda; M. Glazer; M. Guss; S. Hasnain; R. Kuzel; B. McMahon; A.Sharpe; P. Strickland; M. Takata; L. Van Meervelt; M. Zema

5:30 PM-7:30 PMT28. Crystallographic insights into structural effects of unnaturalamino acid incorporation in proteins C.M. Phillips-Piro

5:30 PM-7:30 PM

T29. NE-CAT: Crystallography Beamlines for Challenging StructuralBiology Research S. Banerjee; M. Capel; L. Kinsland; I. kourinov; A.Lynch; F. Murphy; D. Neau; K. Perry; K. Rajashankar; C. Salbego; J.Schuermann; N. Sukumar; J. Withrow; S.E. Ealick

5:30 PM-7:30 PMT30. Neutron investigations of multiferroic LuFeO3 W. Ratcliff; S.Disseler; X. Luo; Y.S. Oh; R. Hu; D. Quintana; A. Zhang; J. Lau; R.Paul; J.W. Lynn; S.W. Cheong

5:30 PM-7:30 PMT31. New Compression Algorithms for MacromolecularCrystallographic Diffraction Images H.J. Bernstein

5:30 PM-7:30 PMT32. Novel approaches to stabilize large protein assemblies forcrystallization experiments G. LIN; G.A. CALERO

5:30 PM-7:30 PM

T33. NSLS-II biomedical beamlines for micro-crystallography, FMX,and for highly automated crystallography, AMX:New opportunities for advanced data collection M.R. Fuchs; J.Jakoncic; D.K. Bhogadi; S.F. Myers; R.M. Sweet; L.E. Berman; J.M.Skinner; M. Idir; O. Chubar; S. McSweeney; D.K. Schneider

5:30 PM-7:30 PM

T35.P11 at PETRA III : A versatile beamline for X-ray crystallography S.Panneerselvam; A. Burkhardt; O. Lorbeer; D. Goeries; J. Meyer; M.Warmer; N. Stuebe; B. Reime; T. Pakendorf; P. Fischer; A. Meents

5:30 PM-7:30 PMT36. Polymorphs, Solvates and Hydrates of Brexpiprazole P. Navare;J.T. Trotta; T.A. Zeidan; M.B. Hickey; M. Oliveira; R.A. Chiarella

5:30 PM-7:30 PMT37. Preserving the HIstory of the American CrystallographicAssocation R.J. Anderson

5:30 PM-7:30 PMT38. Probing Halogen Photoelimination How Can Photocrystallography Help? S. Zheng; D. Powers; S.Hwang; Y. Chen; D. Nocera

5:30 PM-7:30 PMT39. Production of IL-24 and Its Receptors for Structural Studies C.Sonmez; J. Lubkowski; A. Wlodawer

5:30 PM-7:30 PMT40. Promiscuity of Glucose-Regulated Protein 78 in the Binding ofPurine Nucleoside Triphosphates S.J. Hughes; J. Pizarro; T.Antoshchenko; J. Song; H. PARK

5:30 PM-7:30 PMT41. Protonation changes geometry of histidine rings M.J. Dauter; M.Malinska; Z. Dauter; M. Kowiel; M. Jaskolski

5:30 PM-7:30 PM

T42. SANS study and Simulations of Cel7A during Binding andHydrolysis of Cellulose S. Pingali; J. He; L. Petridis; B.R. Evans; W.Heller; E. Alekozai; X. Cheng; B. Lindner; J.C. Smith; V.S. Urban;B.H. Davison; P. Langan; H.M. O'Neill

5:30 PM-7:30 PMT43. Structural and functional studies of SmVAL4 a parasite CAPprotein O. Asojo; A. Kelleher; R. Darwiche; R. Schneiter; L.C. Leite;L.P. Farias

5:30 PM-7:30 PMT44. Structural Tansformations of Copper Doped Ceria During CyclicPulsing of Oxygen and Carbon Monoxide J. Hanson; J.A. Rodriguez;A. Yakovenko; G. Tutuncu; E. Dooryhee

5:30 PM-7:30 PMT45. Structure of products of CO2 gas capture by piperazine solutionsT.V. Timofeeva; S. Antal; R. Castaneda; C. Ordonez; M. Fonari

5:30 PM-7:30 PMT48. Structures of the Bifunctional PutA Flavoenzyme Reveal DistinctStructural Solutions to the Problem of Protecting a Reactive MetabolicIntermediate J.J. Tanner

5:30 PM-7:30 PMT49. Synchrotron Structural Studies of Four Ni(CN)4-Based FlexibleMetal-Organic Framework (MOF) Crystals W. Wong-Ng; J. Culp; Y.Chen; J. Deschamp; C. Matranga

5:30 PM-7:30 PMT50. Synthesis and Crystal Structure of Diels-Alder Adducts andSome of their Metal Derivatives G. Diaz de Delgado; B. Ramirez; R.Campos; W. Velasquez; J. Delgado

Wednesday, July 29, 2015

5:30 PM-7:30 PMT52. Tautomerism in Structure Based Drug Design O. Borbulevych;L.M. Westerhoff

5:30 PM-7:30 PMT53. The ISX Stage: A Novel Home-Lab Solution for AutomatedScreening of Crystallization Plates M. Benning; S. Freisz

5:30 PM-7:30 PMT54. The role of active humidity control in successful membraneprotein crystallization with mosquito Crystal and mosquito LCP J.Jenkins; D. Smith; S. Vaezeslami

5:30 PM-7:30 PM

T55. The Structural Biology Center User Program at the AdvancedPhoton Source S. Ginell; R. Alkire; P. Bulaon; C. Chang; N. . Duke; Y.Kim; K. Lazarski; J. Lazarz; K. Michalska; M. Molitsky; B. Nocek; J.Osipiuk; S.O. Park; M. Radford; G. Rosenbaum; K. Tan; A.Joachimiak

5:30 PM-7:30 PMT56. Towards the next generation protein micro-crystallography atSPring-8 and SACLA M. Yamamoto; K. Hirata; K. Yamashita; Y.Kawano; G. Ueno; K. Hasegawa; T. Nakatsu; H. Ago; T. Kumasaka

5:30 PM-7:30 PMT57. Towards the structural basis of peptide binding to dipeptidylpeptidases of Porphyromonas sp. G. Bezerra; Y. Ohara-Nemoto; T.Nemoto; K. Djinovic-Carugo

5:30 PM-7:30 PMT58. Virtual Screening and Biochemical Evaluation of the Inhibitors ofDual-Specificity Phosphatase 26 D. Jeong

5:30 PM-7:30 PMT59. WNK KINASES ARE REGULATED BY INHIBITION OFAUTOPHOSPHORYLATION E.J. Goldsmith

5:30 PM-7:30 PMT60.A Micromanufactured Diode Beamstop D. Bryant; s. morton; J.C. Nix;m. allaire

5:30 PM-7:30 PMT61. Small-angle neutron scattering of protein stabilizing water-in-oilemulsions F. Ahmed; J. Eeuwes; M. Frampton; D. Marquardt; T.Harroun

5:30 PM-7:30 PMT62. Understanding "random" MMS microseeding: how newstrategies can improve productivity P. Shaw Stewart; S. Kolek


8:00 AM-8:45 AM, Freedom Ballroom (Sheraton Hotel), P4. Plenary Lecture: Juan ManuelGarcia-Ruiz, Lecture

8:00-8:45 AMP4.01. The impact of crystals and crystallography in art and cultureJ.M. Garcia-Ruiz

9:00 AM-12:00 PM, Independence AB (Sheraton Hotel), 4.1.5. (Bio)Chemistry in the X-rayBeam, Lecture

9:00-9:40 AM4.1.5.01. Using single crystal spectroscopy to your advantage: thecase of the missing ferryl iron C.M. Wilmot; E.T. Yukl; C. Li; B. Andi;R. Sarangi; A.M. Orville; B. Hedman; V.L. Davidson

9:40-10:00 AM4.1.5.02. Crystallographic study for estimation of the valence of fourMn atoms in oxygen-evolving Photosystem II using anomalousabsorption techniques Y. Umena; K. Kawakami; J. Shen; N. Kamiya


10:30-11:10 AM4.1.5.03. Radiation Damage to Protein Crystals: Phenomenology,Mechanisms, and How to Reduce It at Next Generation SynchrotronBeamlines R.E. Thorne

11:10-11:30 AM4.1.5.04. Imaging local electric fields produced upon synchrotron X-ray exposure G. Simpson; C. Dettmar; J. Newman; S. Toth; M.Becker; R.F. Fischetti

11:30-11:50 AM 4.1.5.05. Use of Chemical Restraints in Phenix N. Moriarty

9:00 AM-12:00 PM, Independence CD (Sheraton Hotel), 4.1.2. General Interest II, Lecture

9:00-9:20 AM4.1.2.01. Structural Chemistry and Drug Discovery at Merck G.Scapin

9:20-9:40 AM4.1.2.02. Development of the CheckMyMetal server H. Zheng; M.Chordia; D. Cooper; I.G. Shabalin; W. Minor

9:40-10:00 AM4.1.2.03. MolProbity's Ultimate Rotamer Library for Model ValidationB.J. Hintze; D.C. Richardson; J.S. Richardson


10:00-10:25 AM 4.1.2.04. Innovative protein crystallization screens F. GORREC

10:25-10:50 AM4.1.2.05. A comprehensive strategy to obtain high quality crystals M.Senda; T. Senda

10:50-11:10 AM 4.1.2.06. The Structural Biology of the Origin of Life C.W. Carter

11:10-11:30 AM4.1.2.07. Rfree: a dinosaur marked for extinction? D. Turk; J.Praznikar

9:00 AM-12:00 PM, Philadelphia South (Sheraton Hotel), 4.1.4. Important Science fromSmall Molecule Structures - Part II, Lecture

9:00-9:20 AM4.1.4.01. Structural chemistry of tetravalent actinide-organic basedcompounds K.E. Knope

9:20-9:40 AM4.1.4.02. Using x-ray crystallography to elucidate ligand and metaloxidation states in low-valent uranium complexes bearing redox-active ligands S.C. Bart

9:40-10:00 AM4.1.4.03. Structures and Properties of Metastable A2BBO6Corundum Derivatives P. Stephens; M. Li; M. Retuerto; D. Walker; M.Greenblatt


10:30-10:45 AM4.1.4.04. The story of a flexible receptor: from self-assemblystrategies to succesful separation of isomeric dicarboxylic acids I.Djilovic

10:45-11:00 AM4.1.4.05. A reinvestigation of ruthenium chemistry: the importance ofX-ray crystallography for definitive structural characterization K.Ghiassi; M. Aristov; A. Balch; M. Olmstead

11:00-11:20 AM4.1.4.06. Structural and Electronic Characterization of Mn+[Mo2]

4+

complexes B.S. Dolinar; J.F. Berry

11:20-11:40 AM4.1.4.07. Crystal Packing in High-Z Structures of Organic MoleculesC.P. Brock

11:40-12:00 PM4.1.4.08. Important Science from 764,371 Small Molecule StructuresC.R. Groom; S.C. Ward; P.A. Wood

9:00 AM-12:00 PM, Philadelphia North (Sheraton Hotel), 4.1.3. In the Service of Science:Experiences and Opportunities with Central Facility Services, Lecture

9:00-9:05 AM Opening Remarks

9:05-9:40 AM4.1.3.01. Structural Biology of Viral Proteins Critical for GlycanRecognition and Immune Evasion B.V. Prasad; L. Hu; B. Carrillo; Z.Muhaxhiri; B. Sankaran; S. Shanker

9:40-10:00 AM

4.1.3.02.BioMEX Solutions: An expert facility for structure solution inmacromolecular X-ray crystallography R. Keegan; E. Krissinel; S.Gandhi


10:30-11:05 AM4.1.3.03. The acetylcholine binding protein as a tool for drugdiscovery: A quest for specificity. T.T. Talley; J. Bobango

11:05-11:30 AM4.1.3.04.Beyond the Bottleneck: the User Programs and Avenues of Access tothe MBC Beamline ALS4.2.2 J.C. Nix

11:30-11:55 AM4.1.3.05. Service Crystallography Modes on Beamline 11.3.1 at theAdvanced Light Source S.J. Teat; K.J. Gagnon; C.M. Beavers

9:00 AM-12:00 PM, Freedom Ballroom (Sheraton Hotel), 4.1.1. Structural Glycobiology,Lecture

9:00-9:25 AM4.1.1.01. -lactam antibiotic resistance and the bacterialpeptidoglycan recycling pathway B.L. Mark

9:25-9:45 AM4.1.1.02. Guided Model-Building of N-linked Carbohydrates P.Emsley

9:45-10:00 AM4.1.1.03. Engineering FlgJ to Study the Catalytic Mechanism ofFamily 73 Glycoside Hydrolases P. Zaloba; B.L. Mark; B.A. Bailey-Elkin


10:30-11:00 AM4.1.1.04. Carbohydrate-recognising proteins: Structural features andchallenges in inhibitor Design H. Blanchard

11:00-11:20 AM4.1.1.05. Crystal structures of LpoA, a peptidoglycan synthaseactivator from Haemophilus influenzae M.A. Saper; K.Sathiyamoorthy; J. Vijayalakshmi; K.C. Wisser

11:20-11:40 AM4.1.1.06. Feeding our Gut Microbes: Structural insights into sugardigestion in the human colon M. Chaudet; D. Rose

11:40-12:00 PM4.1.1.07. Novel structures of Xenopus laevis and human X-typelectins reveal mechanism of carbohydrate recognition K.Wangkanont; D.A. Wesener; K.T. Forest; L.L. Kiessling

12:00 PM-1:30 PM, Independence AB (Sheraton Hotel), Movie viewing: The Mystery of theGiant Crystals, Reception

1:30 PM-5:00 PM, Philadelphia South (Sheraton Hotel), 4.2.2. Cool Structures, Lecture

1:30-2:00 PM

4.2.2.01. The Influence of Chemistry and Topology on the HighPressure Behaviour of Hybrid MaterialsThe Influence of Chemistryand Topology on the High Pressure Behaviour of Hybrid Materials E.Spencer; N. Ross; K. Carter; C. Cahill

2:00-2:30 PM4.2.2.02. Effect of Chemistry on the High-Pressure Behavior ofMonazite, a Rare-Earth Phosphate K.M. Heffernan; N. Ross; E.Spencer; L. Boatner

2:30-3:00 PM4.2.2.03. abp="544">Borates: New Structural Types, Pseudo-Merohedral Twinning, and Disorder. abp="545" /> Y. Sevryugina; D.Neiner; D.M. Schubert


3:30-4:00 PM4.2.2.04. Structural Classifications in Inorganic Materials S.N.Kabekkodu

4:00-4:30 PM4.2.2.05. Metal halides in Li-ion batteries C. Bridges; J.M. Powell;G.M. Veith; A. Banerjee; S. Nagler; S. Dai

4:30-5:00 PM 4.2.2.06. Another year... P.J. Carroll

1:30 PM-5:00 PM, Independence CD (Sheraton Hotel), 4.2.1. General Interest III, Lecture

1:30-2:00 PM4.2.1.01. Celebrating the International Year of Crystallography withCrystal Growing Competitions I. Guzei

2:00-2:20 PM4.2.1.02. Finding Your Place in the World Using the CSD toBenchmark Your Research. A.A. Sarjeant; S. Wiggin; S.C. Ward; P.A.Wood; C.R. Groom

2:20-2:40 PM4.2.1.03. Crystallographic point groups and abstract groups;Mathematical Crystallography M.M. Julian

2:40-3:00 PM4.2.1.04. Expanding the low-valent chemistry of technetium throughhydrothermal synthesis P.M. Forster; W.M. Kerlin; F. Poineau; A.P.Sattelberger; K.R. Czerwinski


3:30-3:50 PM4.2.1.05. Molecular Crystals That Cannot Be Prepared in a Test TubeL.R. Falvello; I. Dobrinovitch; E. Forcn-Vzquez; I. Mayoral; M.Tomas

3:50-4:10 PM4.2.1.06. Practical Guidelines and Insights for the Crystalline SpongeMethod T.R. Ramadhar; S. Zheng; Y. Chen; J. Clardy

4:10-4:30 PM 4.2.1.07. Native-SAD is Maturing J.P. Rose; B.C. Wang; M. Weiss

4:30-4:45 PM4.2.1.08. Vaterite Structure and Microstructure of Sturgeon OtolithsB.C. Chakoumakos; B.M. Pracheil; R. Koenigs; R.M. Bruch; M.Feygenson

4:45-5:00 PM4.2.1.09. The monoclinic form of the rhabdophane compounds:REEPO4.0.667 H2O A. Mesbah; N. clavier; E. elkaim; C. Gausse; I.ben Kacem; S. Szenknect; N. Dacheux

1:30 PM-5:00 PM, Independence AB (Sheraton Hotel), 4.2.4. Imaging with X-rays andElectrons, Lecture

1:30-2:00 PMDiffraction Enhanced Imaging at the Biomedical Beamline at theCanadian Light Source D. Chapman

2:00-2:20 PM4.2.4.02. Sub-micron x-ray beam study of human hair V. Stanic; J.Bettini; F. Montoro; K. Evans-Lutterodt

2:20-2:40 PM4.2.4.03. X-ray topography techniques for imaging defects and strainin crystalline materials: Current Status and Future Prospects B.Raghothamachar; M. Dudley

2:40-3:00 PM4.2.4.04. Applications of TEM for evaluation and optimization ofcrystal and nano crystal growth G.A. CALERO; H. Stevenson; G. LIN;C.O. Barnes; J.F. Conway; A. Cohen


3:30-4:00 PM4.2.4.05. Coherent X-ray Scattering: Dynamics of Crowded Colloidsand Other Stories A. Fluerasu

4:00-4:20 PM4.2.4.06. Tomographic coherent X-ray diffraction imaging of dentintissue ultrastructure M. Verezhak; Y. Chushkin; F. Zontone; B.Weinhausen; M. Burghammer; E. Vennat; M. Plazanet; A. Gourrier

4:20-4:50 PM4.2.4.01. A comparison of cryo microscopy with x-rays and electronsC. Jacobsen

1:30 PM-5:00 PM, Philadelphia North (Sheraton Hotel), 4.2.5. Play it Cool? Ambient andCryogenic Approaches, Lecture

1:30-2:00 PM4.2.5.01. Physics of Cryo- and Variable-Temperature CrystallographyR.E. Thorne

2:00-2:20 PM

4.2.5.02. Crystal mounting method using humid air and hydrophilicglue coating for ambient and cryogenic experiments. T. Kumasaka; S.Baba; N. Yagi; Y. Umena; N. Kamiya; T. Kawamura; S. Matsumoto; F.Shima; T. Kataoka; M. Yamamoto

2:20-2:40 PM4.2.5.03. maorphological charecterization of detergent-mediatedphotosystem I (PS I)- proteoliposome formation H. Niroomand

2:40-3:00 PM4.2.5.04. Vapor Diffusion Based Cryoprotection of MacromolecularCrystals C. Farley; D.H. Juers


3:30-4:00 PM4.2.5.05.Radiation damage effects on protein conformation at roomtemperature and 100K A. Gonzalez

4:00-4:30 PM4.2.5.06. Exploiting the virtues of cryo-crystallography and in situ datacollection at beamline I24 D. Axford

4:30-5:00 PM4.2.5.07. Discovering coupled conformational heterogeneity inproteins by multitemperature crystallography and multiscale modelingD. Keedy; J. Rettenmaier; J. Wells; J.S. Fraser

1:30 PM-5:00 PM, Freedom Ballroom (Sheraton Hotel), 4.2.3. Structured Nucleic Acids,Lecture

1:30-1:50 PM4.2.3.01. Structural Comparison of HIV-1 Reverse TranscriptaseCross-Linked to a DNA Template-Primer at Two Different Sites S.E.Martinez; K. Das; E. Arnold

1:50-2:10 PM4.2.3.02. Reading DNA sequence by the transcription regulator PhoPS. Wang; X. He

2:10-2:30 PM4.2.3.03. Mg-RNA server: automated classification of magnesiumbinding sites in RNA crystal structures I.G. Shabalin; H. Zheng; K.B.Handing; W. Minor

2:30-3:00 PM4.2.3.04. Structural Metamorphosis of human aminoacyl-tRNAsynthetases for novel functions M. GUO


3:30-4:00 PM4.2.3.05.Helical repeats hinder direct methods structure determination ofdouble-stranded RNA from trypanosome RNA editing B. Mooers

4:00-4:30 PM 4.2.3.06. Crystal structure of a group II intron lariat N. Toor

4:30-5:00 PM4.2.3.07. Regulated disruption and re-assembly of U4/U6 di-snRNPduring splicing M.C. Wahl

6:30 PM-10:30 PM, Liberty Ballroom (Sheraton Hotel), ANNUAL AWARDS BANQUET,Reception

Final ID: P1.01

Understanding Oxide Surfaces: From Structure to CatalysisL. Marks; 1; 1. Materials Science and Engineering, Northwestern University, Evanston, IL, United States.

Abstract Content: Oxide surfaces are an important frontier, with numerous applications in areas ranging from catalysis

to oxide electronics. Despite this, our understanding of the atomic structure of oxide surfaces is relatively primitive.

There is a large body of evidence indicating that many oxide surfaces reconstruct with large unit cells, making

elemental metals or semiconductors look simple. Indeed, the simplest perovskite SrTiO3 has many more

reconstructions than silicon. Using techniques based upon careful collection of diffraction data coupled with detailed

DFT analyses we have made substantial progress in understanding these surfaces over the last few years. For

instance, we used a multi-technique solution for a series of reconstructions on the SrTiO3 (110) surface as well as

large reconstructions on SrTiO3 (001) and (111). In all of this work electron microscopy both imaging and diffraction

has played a critical role.

While this by itself is useful science, it is not always obvious how this translates to results of technological importance.

One area where it does is heterogeneous catalysis, i.e. nanoparticles supported on these oxide surfaces. It turns out

that depending upon the surface structure one has different epitaxy of the nanoparticles, and in turn difference for

face-selective catalysis. These are ideal samples where established techniques for imaging surface at the atomic

scale developed in the 1980s such as profile imaging can be exploited.

In this talk I will describe how our work on understanding SrTiO3 surfaces has led to the start of understanding and

design of face-selective catalysis for Pt/SrTiO3.

Final ID: T1.02

Organic Synthesis in the Solid State Using Principles of Crystal EngineeringL. R. MacGillivray; 1; 1. Chemistry, University of Iowa, Iowa City, IA, United States.

Abstract Content: In this presentation, a method being developed in our laboratory that enables noncovalent bonds to

be utilized, in a general way, to direct the formation of covalent bonds will be described. We show how small organic

molecules and inorganic complexes act as templates by assembling olefins into prescribed geometries in the solid

state to undergo photochemically induced [2+2] cycloadditions. We demonstrate how the template method effectively

enables the crystal engineering of molecules (e.g. ladderanes) that form stereoselectively, in quantitative yield, and in

gram amounts. Relevance and applications of the method to the fields of chemical synthesis (e.g. catalysis),

materials science (e.g. optical properties), and molecular nanotechnology (e.g. organic nanocrystals) will be

discussed. Related work in the fields of organic semiconductors will also be presented.

Final ID: T1.03

Crystallography and SustainabilityJ. R. Helliwell; 1; 1. Chemistry, University of Manchester, Manchester , United Kingdom.

Abstract Content: Crystallography has played several major roles in sustainability including, on the science side (e.g.

new drug discovery and new materials for energy usage) and in education initiatives (e.g., most recently within the

IYCr). On the social side as a field we have done much towards the empowerment of women, including two elected

female IUCr Presidents, and towards World Peace (e.g. see ref 1). The preservation of our processed diffraction and

derived molecular coordinate data via our databases and linking to publications is also highly notable within our

discipline. IUCr has helped facilitate the now universally harnessed cif, led the way with the linking of publications to

diffraction and atomic coordinate data in the IUCr journals and most recently is assisting in the debate about and

developing tools for preservation of raw diffraction data [2]. A major part of the sustainable industrial future involves

nanomaterials not least using smaller quantities of materials. The IUCr is taking an active role in a CODATA/VAMAS

Joint Working Group on the Description of Nanomaterials [3] to help develop a uniform description system for

nanomaterials an essential step towards reproducibility of their production. Another major feature of crystallography in

the life sciences is the use of synchrotron radiation in macromolecular structure determination including its

applications in the pharmaceutical industry [see e.g. ref 4].

References

Kathleen Lonsdale Is peace possible? Penguin Books Pages 136 https://archive.org/details/ispeacepossible00lons.

Helliwell, J. R., McMahon, B., Terwilliger, T. et al., Triennial report to the IUCr Executive Committee from the

Diffraction Data Deposition Working Group (DDDWG), http://forums.iucr.org/viewtopic.php?f=21&t=343; see also

http://ecm29.ecanews.org/programme/satellite-meetings/

http://www.codata.org/nanomaterials ; see also the IUCr Forum on Nanomaterials (registration for login is required).

http://www.stfc.ac.uk/resources/pdf/srsimpact.pdf

Final ID: T1.04

The Solvent-free Research Laboratory: Synthesis and Reaction Discovery Using Solid-state Chemistry and

MechanochemistryT. Friscic; 1; 1. McGill University, Montreal, QC, Canada.

Abstract Content: Over the past two decades mechanochemical reactions, i.e. transformations initiated or sustained

by mechanical force, have developed into a powerful solid-state alternative to conventional synthesis.1 The ability to

modify the mechanochemical reaction environment through additives that enable, catalyze or direct reactivity has led

to new, highly general synthetic strategies for solvent-free synthesis across chemical sciences. These strategies have

so far permitted the application of mechanochemical synthesis in a wide range of areas, ranging from organic,

inorganic, supramolecular and coordination chemistry, to the synthesis of organometallic compounds, microporous

metal-organic frameworks (MOFs) and active pharmaceutical ingredients (APIs).2,3 Mechanochemical methodologies

are also readily applicable to one-pot multi-component synthesis, as well as screening for new molecules and

materials, for example in the mechanochemical discovery of previously unknown chemical transformations4 and

topologically novel framework structures.5

This presentation will illustrate how these augmented mechanochemical strategies, coupled with increasingly efficient

and accessible methods for solid-state structural characterization, including powder X-ray diffraction, solid-state

nuclear magnetic resonance spectroscopy and hot-stage microscopy, provide an opportunity to perform all protocols

associated with conventional chemical research, but in the solid state. The result is the Solvent-free Research

Laboratory:6 an unprecedented, entirely solvent-free approach to synthetic chemistry, wherein the synthesis, analysis

and separation procedures, as well as real-time studies of reaction mechanisms are all accessible without resorting to

A Valuable Biomembrane Mimetic System for Melittin

Documents

Transcript of A Valuable Biomembrane Mimetic System for Melittin