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PMID: 15805601 Published · ppublish English Journal Article Research Support, N.I.H., Extramural Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, P.H.S.

Likelihood-enhanced fast translation functions.

Acta crystallographica. Section D, Biological crystallography ·Vol. 61 ·No. Pt 4 ·2005-04-00 ·Pages 458-64

McCoy AJ, Grosse-Kunstleve RW, Storoni LC, Read RJ

Abstract

This paper is a companion to a recent paper on fast rotation functions [Storoni et al. (2004), Acta Cryst. D60, 432-438], which showed how a Taylor-series expansion of the maximum-likelihood rotation function leads to improved likelihood-enhanced fast rotation functions. In a similar manner, it is shown here how linear and quadratic Taylor-series expansions and least-squares approximations of the maximum-likelihood translation function lead to likelihood-enhanced translation functions, which can be calculated by FFT and which are more sensitive to the correct translation than the traditional correlation-coefficient fast translation function. These likelihood-enhanced translation targets for molecular-replacement searches have been implemented in the program Phaser using the Computational Crystallography Toolbox (cctbx).

MeSH Terms
Bacterial Proteins/chemistry Crystallography/methods Elapid Venoms/chemistry Least-Squares Analysis Likelihood Functions Software beta-Lactamases/chemistry
Chemicals
Bacterial Proteins Elapid Venoms beta-lactamase-inhibitor protein, Streptomyces dendrotoxin beta-Lactamases
Authors & Affiliations
4 authors, click to expand affiliations / ORCID
McCoy Airlie J
Department of Haematology, University of Cambridge, Cambridge Institute for Medical Research, Wellcome Trust/MRC Building, Hills Road, Cambridge CB2 2XY, England.
Grosse-Kunstleve Ralf W
Storoni Laurent C
Read Randy J
Article Info
Journal
Acta crystallographica. Section D, Biological crystallography
Abbr.
Acta Crystallogr D Biol Crystallogr
ISSN
0907-4449
Published
2005-04-00
Epub
2005-00-24
Pages
458-64
Language
English
Region
United States
NLM ID
9305878
Subset
IM
Grants
NIGMS NIH HHS · P01 GM063210 · United States
NIGMS NIH HHS · 1P01GM063210 · United States
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