| High-resolution neutron crystallographic studies of the hydration of the coenzyme cob(II)alamin. | |
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MedLine Citation:
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PMID: 21636899 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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The hydration of the coenzyme cob(II)alamin has been studied using high-resolution monochromatic neutron crystallographic data collected at room temperature to a resolution of 0.92 Å on the original D19 diffractometer with a prototype 4° × 64° detector at the high-flux reactor neutron source run by the Institute Laue-Langevin. The resulting structure provides hydrogen-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 surrounded by flexible side chains with terminal functional groups may be significant for the efficient scavenging of ligands. The feasibility of extending the resolution of this structure to ultrahigh resolution was investigated by collecting time-of-flight neutron crystallographic data during commissioning of the TOPAZ diffractometer with a prototype array of 14 modular 2° × 21° detectors at the Spallation Neutron Source run by Oak Ridge National Laboratory. |
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Authors:
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Gerwald Jogl; Xiaoping Wang; Sax A Mason; Andrey Kovalevsky; Marat Mustyakimov; Zöe Fisher; Christina Hoffman; Christoph Kratky; Paul Langan |
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Publication Detail:
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Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S. Date: 2011-05-19 |
Journal Detail:
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Title: Acta crystallographica. Section D, Biological crystallography Volume: 67 ISSN: 1399-0047 ISO Abbreviation: Acta Crystallogr. D Biol. Crystallogr. Publication Date: 2011 Jun |
Date Detail:
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Created Date: 2011-06-03 Completed Date: 2011-09-09 Revised Date: 2013-02-26 |
Medline Journal Info:
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Nlm Unique ID: 9305878 Medline TA: Acta Crystallogr D Biol Crystallogr Country: England |
Other Details:
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Languages: eng Pagination: 584-91 Citation Subset: IM |
Copyright Information:
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© 2011 International Union of Crystallography |
Affiliation:
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Department of Molecular Biology, Cell Biology and Biochemistry, Brown University, Providence, RI 02912, USA. |
Export Citation:
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APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
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Coenzymes
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chemistry* Hydrogen Bonding Models, Molecular Molecular Conformation Neutron Diffraction Vitamin B 12 / chemistry* Water / chemistry* |
| Grant Support | |
ID/Acronym/Agency:
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R01GM071939-01/GM/NIGMS NIH HHS |
| Chemical | |
Reg. No./Substance:
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0/Coenzymes; 68-19-9/Vitamin B 12; 7732-18-5/Water |
| Comments/Corrections | |
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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