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, 02:10:50pm CET

Session Overview
MS-57: Neutron scattering - sources, applications
Thursday, 19/Aug/2021:
10:20am - 12:45pm

Session Chair: Matthew Paul Blakeley
Session Chair: Flora Meilleur
Session Chair: Esko Oksanen
Location: Terrace 2B

100 2nd floor

Invited: Gloria Borgstahl (USA), Svetlana Antonyuk (UK)

Session Abstract

This microsymposium will focus on advances in the area of neutron diffraction
focusing on advances in terms of hardware, software and knowledge gained from neutron crystallography of macromolecules. Raw diffraction data availability, promoted by all the neutron facilities with their dedicated data archives, would facilitate re refinements notably at higher resolution as neutron macromolecular methods and software are advancing apace. There is a room to show upcoming possibilities at ESS, STS at ORNL.

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

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10:20am - 10:25am

Introduction to session

Matthew Paul Blakeley, Flora Meilleur, Esko Oksanen

10:25am - 10:55am

Direct detection of concerted proton and electron transfer in human manganese superoxide dismutase

Gloria Borgstahl1, Jahaun Azadmanesh1, Will Lutz1, Kevin Weiss2, Leighton Coates2

1University of Nebraska Medical Center, Omaha, Nebraska, United States of America; 2Oak Ridge National Laboratory, Tennessee, United States of America

10:55am - 11:25am

Damage-free structures of green copper nitrite reductase obtained by neutron crystallography and XFEL

Svetlana Antonyuk

Molecular Biophysics Group, ISMIB, Faculty of Health and Life Sciences; University of Liverpool, UK

11:25am - 11:45am

Modelling and refinement of hydrogens: new developments in CCP4

Lucrezia Catapano1,2, Roberto A. Steiner1, Garib N. Murshudov2

1King's College London, London, United Kingdom; 2MRC Laboratory of Molecular Biology, Cambridge, United Kingdom

11:45am - 12:05pm

Finding the Goldilocks zone for chemical crystallography via Laue single-crystal neutron diffraction – what have we learned from KOALA to improve KOALA 2.0?

Alison Jeanine Edwards, Ross Oliver Piltz

ANSTO, Lucas Heights, Australia

12:05pm - 12:25pm

An automatised hydrogen orientation procedure for neutron protein crystallography

Justin Bergmann1, Esko Oksanen2, Ulf Ryde1

1Division of Theoretical Chemistry, Lund University, Chemical Centre, P.O. Box 124, SE-221 00 Lund, Sweden; 2European Spallation Source ESS ERIC, Lund, Sweden

12:25pm - 12:50pm

Amplifying hydrogen: neutron diffraction using Dynamic Nuclear Polarization

Dean Myles1, Josh Pierce1, Mathew Cuneo2, Kenneth Herwig1, Flora Meilleur1,3, Jinkui Zhao4

1Oak Ridge National Laboratory, Oak Ridge, United States of America; 2St. Jude Children’s Research Hospital, Memphis, United States of America; 3North Carolina State University, Raleigh, United States of America; 4Institute of Physics, Chinese Academy of Sciences, Beijing, China

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