Linked Life Data

10737790

Source:http://linkedlifedata.com/resource/pubmed/id/10737790

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
7
pubmed:dateCreated
2000-4-24
pubmed:databankReference
pubmed:abstractText
The charge density distribution of a protein has been refined experimentally. Diffraction data for a crambin crystal were measured to ultra-high resolution (0.54 A) at low temperature by using short-wavelength synchrotron radiation. The crystal structure was refined with a model for charged, nonspherical, multipolar atoms to accurately describe the molecular electron density distribution. The refined parameters agree within 25% with our transferable electron density library derived from accurate single crystal diffraction analyses of several amino acids and small peptides. The resulting electron density maps of redistributed valence electrons (deformation maps) compare quantitatively well with a high-level quantum mechanical calculation performed on a monopeptide. This study provides validation for experimentally derived parameters and a window into charge density analysis of biological macromolecules.
pubmed:grant
pubmed:commentsCorrections
http://linkedlifedata.com/resource/pubmed/commentcorrection/10737790-10089480, http://linkedlifedata.com/resource/pubmed/commentcorrection/10737790-10089507, http://linkedlifedata.com/resource/pubmed/commentcorrection/10737790-10409612, http://linkedlifedata.com/resource/pubmed/commentcorrection/10737790-15299761, http://linkedlifedata.com/resource/pubmed/commentcorrection/10737790-15299796, http://linkedlifedata.com/resource/pubmed/commentcorrection/10737790-8241415, http://linkedlifedata.com/resource/pubmed/commentcorrection/10737790-8450543, http://linkedlifedata.com/resource/pubmed/commentcorrection/10737790-9092482, http://linkedlifedata.com/resource/pubmed/commentcorrection/10737790-9211842, http://linkedlifedata.com/resource/pubmed/commentcorrection/10737790-9345627, http://linkedlifedata.com/resource/pubmed/commentcorrection/10737790-9914254
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Mar
pubmed:issn
0027-8424
pubmed:author
pubmed:issnType
Print
pubmed:day
28
pubmed:volume
97
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
3171-6
pubmed:dateRevised
2009-11-18
pubmed:meshHeading
pubmed:year
2000
pubmed:articleTitle
Accurate protein crystallography at ultra-high resolution: valence electron distribution in crambin.
pubmed:affiliation
Laboratoire de Cristallographie et Modélisation des Matériaux Minéraux et Biologiques, Université Henri Poincaré-Nancy 1-Centre National de la Recherche Scientifique ESA 7036, BP 239, 54506 Vandoeuvre-lès-Nancy, France.
pubmed:publicationType
Journal Article, Research Support, U.S. Gov't, P.H.S., Research Support, Non-U.S. Gov't