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: 6th Dec 2022, 01:40:43am CET

 
 
Session Overview
Session
MS-58: Ultra-high resolution macromolecular crystallography and quantum biocrystallography
Time:
Thursday, 19/Aug/2021:
10:20am - 12:45pm

Session Chair: Christian Jelsch
Session Chair: Alexander Wlodawer
Location: Club A

170 1st floor

Invited: Paulina Dominiak (Poland), Maciej Kubicki (Poland)


Session Abstract

Advances in ultra high resolution crystallography focussing on both methods for data collection, data processing, data reduction and the kinds of information gained from such high resolution structures. Raw diffraction data availability, led by SR facilities such as ESRF, would stimulate the possibilities of ultra high resolution data processing at even higher resolution taking studies into the charge density regime.

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

 


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Presentations
10:20am - 10:25am

Introduction to session

Christian Jelsch, Alexander Wlodawer



10:25am - 10:55am

Experimental studies of the details of electron density distribution in a Z-DNA hexamer: new insights, new problems

Maciej Kubicki1, Krzysztof Brzezinski2, Benoit Guillot3, Mariusz Jaskolski1,2, Zbigniew Dauter4

1Faculty of Chemistry, Adam Mickiewicz University in Pozna, Poznan, Poland; 2Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland; 3Laboratoire de Cristallographie, Institut Jean Barriol, Université de Lorraine, Nancy, Franc; 4Macromolecular Crystallography Laboratory, National Cancer Institute, Argonne National Laboratory, Argonne, USA



10:55am - 11:25am

Moving quantum crystallography from sub-atomic XRD to near-atomic 3D ED

Paulina Maria Dominiak, Michał Leszek Chodkiewicz, Barbara Gruza, Kunal Kumar Jha, Marta Kulik, Paulina Rybicka, Aleksandra Sypko

Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Warszawa, Poland



11:25am - 11:50am

Principles of the mechanism of interfacial activation of a lipase: open and closed states and lipid – enzyme interactions in the limbus region of Candida antarctica Lipase B

Michele Cianci

Università Politecnica Delle Marche, Ancona, Italy



11:50am - 12:15pm

Investigating the redox cycle of tryparedoxin at ultra-high resolution

Martin Streit, Hermann Schindelin

University of Wuerzburg, Wuerzburg, Germany



12:15pm - 12:40pm

Theoretical electrostatic potential maps of macromolecules calculated with multipolar electron scattering factors

Marta Kulik, Michał Leszek Chodkiewicz, Paulina Maria Dominiak

Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Warsaw, Poland



 
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