Conference Agenda

Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).

Please note that all times are shown in the time zone of the conference. The current conference time is: 26th Nov 2022, 02:24:00pm CET

Session Overview
MS-16: Pre and post publication peer review of crystallographic data
Sunday, 15/Aug/2021:
2:45pm - 5:10pm

Session Chair: Mariusz Jaskolski
Session Chair: Anthony Linden
Location: Terrace 2A

130 2nd floor

Invited: Stephen K. Burley (USA)Brian McMahon (UK)

Session Abstract

Chemical crystallography has led the way in peer review of articles submitted for publication along with the underpinning coordinates, processed structure factors and checkCIF reports. Macromolecular crystallography has led the way in extending the molecular complexity that can be studied by crystal structure analysis to include huge multimacromolecular biological complexes. Can the present exemplary practices of these two communities be shared and compared, leading to further developments? Does the fact that biological crystal structures are so large make peer review of article with data out of scope of what can be expected of a referee? This microsymposium will explore the potential future synergies and developments expected in these different areas of crystal structure analysis. Inclusivity of all the IUCr commissions confirms the essential need for specialist referees with expertise in scattering, diffraction, spectroscopies and microscopies studying samples such as crystals, powders, fibres, nanostructured and amorphous materials or solutions. Raw diffraction data can now be archived and offer further opportunities for sure refereeing before publication.

For all abstracts of the session as prepared for Acta Crystallographica see PDF in Introduction, or individual abstracts below.

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2:45pm - 2:50pm

Introduction to session

Mariusz Jaskolski, Anthony Linden

2:50pm - 3:20pm

Celebrating the 50th Anniversary of the Protein Data Bank – Prepublication Peer Review and Validation of Small-Molecule Ligands Bound to Proteins and Nucleic Acids

Stephen K. Burley

RCSB Protein Data Bank, Institute for Quantitative Biomedicine, Department of Chemistry and Chemical Biology, Rutgers Cancer Institute of New Jersey, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, United States

3:20pm - 3:50pm

Data scrutiny in IUCr journals

Brian McMahon

International Union of Crystallography, Chester, United Kingdom

3:50pm - 4:15pm

Crystallographic review - perspectives from a chemical structural database

Suzanna Ward, Natalie Johnson, Matthew Lightfoot

The Cambridge Crystallographic Data Centre (CCDC), Cambridge, United Kingdom

4:15pm - 4:40pm

How not to publish structural results

Alexander Wlodawer

National Cancer Institute, Frederick, MD, United States of America

4:40pm - 5:05pm

Evolution of macromolecular model quality

Dariusz Brzezinski1,2,3, Zbigniew Dauter4, Wladek Minor3, Mariusz Jaskolski1,5

1Center for Biocrystallographic Research, Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland; 2Institute of Computing Science, Poznan University of Technology, Poznan, Poland; 3Department of Molecular Physiology and Biological Physics, University of Virginia, Charlottesville, USA; 4Synchrotron Radiation Research Section, Macromolecular Crystallography Laboratory, National Cancer Institute, Argonne National Laboratory, Argonne, USA; 5Department of Crystallography, Faculty of Chemistry, A. Mickiewicz University, Poznan, Poland

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