1ejg
From Proteopedia
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|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1cbn|1CBN]], [[1crn|1CRN]], [[1ab1|1AB1]], [[1cnr|1CNR]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ejg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ejg OCA], [http://www.ebi.ac.uk/pdbsum/1ejg PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ejg RCSB]</span> | ||
}} | }} | ||
| Line 32: | Line 35: | ||
[[Category: valence electron density]] | [[Category: valence electron density]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:03:50 2008'' |
Revision as of 17:03, 30 March 2008
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| , resolution 0.54Å | |||||||
|---|---|---|---|---|---|---|---|
| Related: | 1CBN, 1CRN, 1AB1, 1CNR
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CRAMBIN AT ULTRA-HIGH RESOLUTION: VALENCE ELECTRON DENSITY.
Overview
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.
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
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