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1ejg

From Proteopedia

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[[Image:1ejg.gif|left|200px]]
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{{STRUCTURE_1ejg| PDB=1ejg | SCENE= }}
{{STRUCTURE_1ejg| PDB=1ejg | SCENE= }}
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'''CRAMBIN AT ULTRA-HIGH RESOLUTION: VALENCE ELECTRON DENSITY.'''
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===CRAMBIN AT ULTRA-HIGH RESOLUTION: VALENCE ELECTRON DENSITY.===
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==Overview==
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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.
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(as it appears on PubMed at http://www.pubmed.gov), where 10737790 is the PubMed ID number.
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{{ABSTRACT_PUBMED_10737790}}
==About this Structure==
==About this Structure==
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[[Category: Multipole refinement]]
[[Category: Multipole refinement]]
[[Category: Valence electron density]]
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Revision as of 21:50, 30 June 2008

Image:1ejg.png

Template:STRUCTURE 1ejg

CRAMBIN AT ULTRA-HIGH RESOLUTION: VALENCE ELECTRON DENSITY.

Template:ABSTRACT PUBMED 10737790

About this Structure

1EJG is a Single protein structure of sequence from Crambe hispanica subsp. abyssinica. Full crystallographic information is available from OCA.

Reference

Accurate protein crystallography at ultra-high resolution: valence electron distribution in crambin., Jelsch C, Teeter MM, Lamzin V, Pichon-Pesme V, Blessing RH, Lecomte C, Proc Natl Acad Sci U S A. 2000 Mar 28;97(7):3171-6. PMID:10737790

Page seeded by OCA on Tue Jul 1 00:50:46 2008

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