Likelihood-enhanced fast translation functions

被引:1616
作者
McCoy, AJ
Grosse-Kunstleve, RW
Storoni, LC
Read, RJ
机构
[1] Univ Cambridge, Cambridge Inst Med Res, Dept Haematol, Cambridge CB2 2XY, England
[2] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA
来源
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2005年 / 61卷
关键词
D O I
10.1107/S0907444905001617
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
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).
引用
收藏
页码:458 / 464
页数:7
相关论文
共 35 条
[1]   PHENIX:: building new software for automated crystallographic structure determination [J].
Adams, PD ;
Grosse-Kunstleve, RW ;
Hung, LW ;
Ioerger, TR ;
McCoy, AJ ;
Moriarty, NW ;
Read, RJ ;
Sacchettini, JC ;
Sauter, NK ;
Terwilliger, TC .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2002, 58 :1948-1954
[2]   THE CCP4 SUITE - PROGRAMS FOR PROTEIN CRYSTALLOGRAPHY [J].
BAILEY, S .
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1994, 50 :760-763
[3]   Bayesian statistical viewpoint on structure determination: Basic concepts and examples [J].
Bricogne, G .
MACROMOLECULAR CRYSTALLOGRAPHY, PT A, 1997, 276 :361-423
[4]  
BRICOGNE G, 1992, P CCP4 STUD WEEK MOL, P62
[5]  
Brunger AT, 1998, ACTA CRYSTALLOGR D, V54, P905, DOI 10.1107/s0907444998003254
[6]  
COLMAN PM, 1976, CRYSTALLOGRAPHIC COM, P248
[7]   A METHOD OF POSITIONING A KNOWN MOLECULE IN AN UNKNOWN CRYSTAL STRUCTURE [J].
CROWTHER, RA ;
BLOW, DM .
ACTA CRYSTALLOGRAPHICA, 1967, 23 :544-&
[8]   Maximum-likelihood heavy-atom parameter refinement for multiple isomorphous replacement and multiwavelength anomalous diffraction methods [J].
delaFortelle, E ;
Bricogne, G .
MACROMOLECULAR CRYSTALLOGRAPHY, PT A, 1997, 276 :472-494
[9]  
DODSON EJ, 1988, CRYSTALLOGRAPHIC COM, V4, P80
[10]   EXPERIENCES WITH A NEW TRANSLATION-FUNCTION PROGRAM [J].
FUJINAGA, M ;
READ, RJ .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1987, 20 :517-521