High resolution neutron crystallographic studies of the hydration of coenzyme cob(II)alamin

Jogl, Gerwald; Wang, Xiaoping; Mason, Sax; Kovalevsky, Andrey; Mustyakimov, Marat; Fisher, Zoe; Hoffmann, Christina; Kratky, Christoph; Langan, Paul

doi:10.1107/S090744491101496X

Title: High resolution neutron crystallographic studies of the hydration of coenzyme cob(II)alamin

Journal Article · Sat Jan 01 00:00:00 EST 2011 · Acta Crystallographica. Section D. Structural Biology

DOI:https://doi.org/10.1107/S090744491101496X· OSTI ID:1081747

Jogl, Gerwald ^[1]; Wang, Xiaoping ^[2]; Mason, Sax ^[3]; Kovalevsky, Andrey ^[4]; Mustyakimov, Marat ^[4]; Fisher, Zoe ^[4]; Hoffmann, Christina ^[2]; Kratky, Christoph ^[5]; Langan, Paul ^[2]

Brown University
ORNL
Institut Laue-Langevin (ILL)
Los Alamos National Laboratory (LANL)
Institute of Biosciences, University of Graz

The hydration of coenzyme cob(II)alamin has been studied using high resolution monochromatic neutron crystallographic data collected at room temperature to a resolution of surrounded by flexible side chains with terminal functional groups may be significant for 0.92 on the original diffractometer D19 with a prototype 4o x 64o detector at the high-flux reactor neutron source run by the Institute Laue Langevin. The resulting structure provides H bonding parameters for the hydration of biomacromolecules to unprecedented accuracy. These experimental parameters will be used to define more accurate force-fields for biomacromolecular structure refinement. The presence of a hydrophobic bowl motif efficient scavenging of ligands. The feasibility of extending the resolution of this structure to ultra high resolution was investigated by collecting time-of-flight neutron crystallographic data on diffractometer TOPAZ with a prototype array of 14 modular 21o x 21o detectors at the Spallation Neutron Source run by Oak Ridge National Laboratory.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: DE-AC05-00OR22725

OSTI ID:: 1081747

Journal Information:: Acta Crystallographica. Section D. Structural Biology, Vol. 67; ISSN 2059-7983

Publisher:: IUCr

Country of Publication:: United States

Language:: English

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Related Subjects

Cob(II)alamin
neutron crystallography
hydration
hydrogen bonding
high resolution
D19
TOPAZ.

Title: High resolution neutron crystallographic studies of the hydration of coenzyme cob(II)alamin

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