ERROR-DETECTION IN CRYSTALLOGRAPHIC MODELS

被引：8

作者：

CARSON, M ^{[1
]}

BUCKNER, TW ^{[1
]}

YANG, Z ^{[1
]}

NARAYANA, SVL ^{[1
]}

BUGG, CE ^{[1
]}

机构：

[1] BIOCRYST PHARMACEUT INC, BIRMINGHAM, AL 35224 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 1994年 / 50卷

关键词：

D O I：

10.1107/S0907444994004919

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

A variety of criteria were tested for identifying errors in protein crystal coordinates. Statistical analysis was based on comparisons of a highly refined crystal structure and several preliminary models derived from molecular replacement. A protocol employing temperature factors, real-space fit residuals, geometric strains, dihedral angles and shifts from the previous refinement cycle is developed. These results are generally applicable to the detection of errors in partially refined protein crystal structures.

引用

收藏

页码：900 / 909

页数：10

相关论文

共 34 条

[1] PROTEIN DATA BANK - COMPUTER-BASED ARCHIVAL FILE FOR MACROMOLECULAR STRUCTURES [J].

BERNSTEIN, FC ;

KOETZLE, TF ;

WILLIAMS, GJB ;

MEYER, EF ;

BRICE, MD ;

RODGERS, JR ;

KENNARD, O ;

SHIMANOUCHI, T ;

TASUMI, M .

JOURNAL OF MOLECULAR BIOLOGY, 1977, 112 (03) :535-542

[2] OMITMAP - AN ELECTRON-DENSITY MAP SUITABLE FOR THE EXAMINATION OF ERRORS IN A MACROMOLECULAR MODEL [J].

BHAT, TN ;

COHEN, GH .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1984, 17 (AUG) :244-248

[3] A METHOD TO IDENTIFY PROTEIN SEQUENCES THAT FOLD INTO A KNOWN 3-DIMENSIONAL STRUCTURE [J].

BOWIE, JU ;

LUTHY, R ;

EISENBERG, D .

SCIENCE, 1991, 253 (5016) :164-170

[4] BETWEEN OBJECTIVITY AND SUBJECTIVITY [J].

BRANDEN, CI ;

JONES, TA .

NATURE, 1990, 343 (6260) :687-689

[5] FREE R-VALUE - A NOVEL STATISTICAL QUANTITY FOR ASSESSING THE ACCURACY OF CRYSTAL-STRUCTURES [J].

BRUNGER, AT .

NATURE, 1992, 355 (6359) :472-475

[6] CRYSTALLOGRAPHIC R-FACTOR REFINEMENT BY MOLECULAR-DYNAMICS [J].

BRUNGER, AT ;

KURIYAN, J ;

KARPLUS, M .

SCIENCE, 1987, 235 (4787) :458-460

[7]

BRUNGER AT, 1992, XPLOR VERSION 3 1 SY

[8] RIBBONS 2 0 [J].

CARSON, M .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1991, 24 :958-&

[9] COMPARISON OF HOMOLOGY MODELS WITH THE EXPERIMENTAL STRUCTURE OF A NOVEL SERINE-PROTEASE [J].

CARSON, M ;

BUGG, CE ;

DELUCAS, LJ ;

NARAYANA, SVL .

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 1994, 50 :889-899

[10]

Carson M., 1992, Journal of Applied Crystallography, V25, P327, DOI 10.1107/S0021889891012815

← 1 2 3 4 →