Error estimation and bias correction in phase-improvement calculations

被引:95
作者
Cowtan, K [1 ]
机构
[1] Univ York, York YO1 5DD, N Yorkshire, England
来源
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY | 1999年 / 55卷
关键词
D O I
10.1107/S0907444999007416
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
With the rise of Bayesian methods in crystallography, the error estimates attached to estimated phases are becoming as important as the phase estimates themselves. Phase improvement by density modification can cause problems in this environment because the quality of the resulting phases is usually overestimated. This problem is addressed by an extension of the gamma correction [Abrahams (1997). Acta Cryst. D53, 371-376] to arbitrary density-modification techniques. The degree to which the improved phases are biased by the features of the initial map is investigated in order to determine the limits of the resulting procedure and the quality of the phase-error estimates.
引用
收藏
页码:1555 / 1567
页数:13
相关论文
共 13 条
  • [1] Bias reduction in phase refinement by modified interference functions: Introducing the gamma correction
    Abrahams, JP
    [J]. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1997, 53 : 371 - 376
  • [2] Methods used in the structure determination of bovine mitochondrial F-1 ATPase
    Abrahams, JP
    Leslie, AGW
    [J]. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1996, 52 : 30 - 42
  • [3] [Anonymous], [No title captured]
  • [4] Phase combination and cross validation in iterated density-modification calculations
    Cowtan, KD
    Main, P
    [J]. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1996, 52 : 43 - 48
  • [5] COWTAN KD, 1998, SOFTWARE DENSITY MOD
  • [6] Hendrickson W. A., 1970, Acta Crystallographica, Section B (Structural Crystallography and Crystal Chemistry), Vb26, P136, DOI 10.1107/S0567740870002078
  • [7] Automated refinement for protein crystallography
    Lamzin, VS
    Wilson, KS
    [J]. MACROMOLECULAR CRYSTALLOGRAPHY, PT B, 1997, 277 : 269 - 305
  • [8] MURSHUDOV G, 1997, COMMUNICATION
  • [9] Incorporation of prior phase information strengthens maximum-likelihood structure refinement
    Pannu, NS
    Murshudov, GN
    Dodson, EJ
    Read, RJ
    [J]. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1998, 54 : 1285 - 1294
  • [10] IMPROVED FOURIER COEFFICIENTS FOR MAPS USING PHASES FROM PARTIAL STRUCTURES WITH ERRORS
    READ, RJ
    [J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1986, 42 : 140 - 149