Document Detail


P1 Shake-and-Bake: can success be guaranteed?
MedLine Citation:
PMID:  10666616     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
The multi-trial direct-methods procedure known as Shake-and-Bake has been applied to three small proteins (alpha-1 peptide, vancomycin and lysozyme) that crystallize in space group P1. Phase refinement was accomplished through parameter-shift optimization using both the cosine and exponential forms of the minimal function. By extending error-free data to sufficiently high resolution, 100% convergence of trial structures to solution could be achieved in all three cases by using the exponential minimal function and a shift angle in the range 130-150 degrees. These results suggest optimum parameters for other P1 structures and emphasize the importance of collecting data to the highest possible resolution.
Authors:
H Xu; H A Hauptman; C M Weeks; R Miller
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Publication Detail:
Type:  Journal Article; Research Support, U.S. Gov't, Non-P.H.S.; Research Support, U.S. Gov't, P.H.S.    
Journal Detail:
Title:  Acta crystallographica. Section D, Biological crystallography     Volume:  56     ISSN:  0907-4449     ISO Abbreviation:  Acta Crystallogr. D Biol. Crystallogr.     Publication Date:  2000 Feb 
Date Detail:
Created Date:  2000-04-05     Completed Date:  2000-04-05     Revised Date:  2007-11-14    
Medline Journal Info:
Nlm Unique ID:  9305878     Medline TA:  Acta Crystallogr D Biol Crystallogr     Country:  DENMARK    
Other Details:
Languages:  eng     Pagination:  238-40     Citation Subset:  IM    
Affiliation:
Hauptman-Woodward Medical Research Institute, 73 High Street, Buffalo, NY 14203, USA. xu@hwi.buffalo.edu
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MeSH Terms
Descriptor/Qualifier:
Algorithms*
Crystallization
Crystallography, X-Ray / methods*
Muramidase / chemistry
Proteins / chemistry*
Vancomycin / chemistry
Grant Support
ID/Acronym/Agency:
GM-46733/GM/NIGMS NIH HHS
Chemical
Reg. No./Substance:
0/Proteins; 1404-90-6/Vancomycin; EC 3.2.1.17/Muramidase

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


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