Crystal structure solution of proteins by direct methods: an automatic procedure for SIR-MIR and SIRAS-MIRAS cases

被引：8

作者：

Giacovazzo, C

Ladisa, M

Siliqi, D

机构：

[1] Univ Bari, Dipartimento Geomineral, CNRS, Ist Cristallog, I-70125 Bari, Italy

[2] Fac Nat Sci, Dept Inorgan Chem, Lab Xray Diffract, Tirania, Albania

来源：

ACTA CRYSTALLOGRAPHICA SECTION A | 2002年 / 58卷

关键词：

D O I：

10.1107/S0108767302016331

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In the previous paper [Giacovazzo & Siliqi (2002). Acta Cryst. A58, 590-597], a probabilistic approach for the SIR-MIR and the SIRAS-MIRAS cases has been described. The mathematical technique is able to take into account the errors arising from measurements, lack of isomorphism and heavy-atom model substructure. An automatic procedure is here described in which the conclusive formulas of that probabilistic approach have been implemented. The procedure has been successfully applied to several test structures: it can automatically provide, starting from the experimental data, high-quality electron-density maps.

引用

收藏

页码：598 / 604

页数：7

相关论文

共 27 条

[1] CRYSTAL-STRUCTURE OF A DUTPASE [J].

CEDERGRENZEPPEZAUER, ES ;

LARSSON, G ;

NYMAN, PO ;

DAUTER, Z ;

WILSON, KS .

NATURE, 1992, 355 (6362) :740-743

[2] CRYSTAL STRUCTURE OF MYOGLOBIN - PHASE DETERMINATION TO A RESOLUTION OF 2A BY METHOD OF ISOMORPHOUS REPLACEMENT [J].

DICKERSON, R ;

KENDREW, JC ;

STRANDBERG, BE .

ACTA CRYSTALLOGRAPHICA, 1961, 14 (11) :1188-&

[3] A DIRECT-METHODS SOLUTION TO THE PHASE PROBLEM IN THE SINGLE ISOMORPHOUS REPLACEMENT CASE - THEORETICAL BASIS AND INITIAL APPLICATIONS [J].

FORTIER, S ;

MOORE, NJ ;

FRASER, ME .

ACTA CRYSTALLOGRAPHICA SECTION A, 1985, 41 (NOV) :571-577

[4] Direct methods and isomorphous replacement. The triplet invariant estimate when heavy atoms are located [J].

Giacovazzo, C ;

Siliqi, D ;

De Caro, L .

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2002, 58 :201-207

[5] THE AB-INITIO CRYSTAL-STRUCTURE SOLUTION OF PROTEINS BY DIRECT-METHODS .5. A NEW NORMALIZING PROCEDURE [J].

GIACOVAZZO, C ;

SILIQI, D ;

PLATAS, JG .

ACTA CRYSTALLOGRAPHICA SECTION A, 1995, 51 :811-820

[6] The method of joint probability distribution functions applied to SIR-MIR and to SIRAS-MIRAS cases [J].

Giacovazzo, C ;

Siliqi, D .

ACTA CRYSTALLOGRAPHICA SECTION A, 2002, 58 :590-597

[7] THE AB-INITIO CRYSTAL-STRUCTURE SOLUTION OF PROTEINS BY DIRECT-METHODS .3. THE PHASE EXTENSION PROCESS [J].

GIACOVAZZO, C ;

SILIQI, D ;

ZANOTTI, G .

ACTA CRYSTALLOGRAPHICA SECTION A, 1995, 51 :177-188

[8] THE AB-INITIO CRYSTAL-STRUCTURE SOLUTION OF PROTEINS BY DIRECT-METHODS .2. THE PROCEDURE AND ITS FIRST APPLICATIONS [J].

GIACOVAZZO, C ;

SILIQI, D ;

SPAGNA, R .

ACTA CRYSTALLOGRAPHICA SECTION A, 1994, 50 :609-621

[9] ON INTEGRATING THE TECHNIQUES OF DIRECT METHODS AND ISOMORPHOUS REPLACEMENT - A NEW PROBABILISTIC FORMULA FOR TRIPLET INVARIANTS [J].

GIACOVAZZO, C ;

CASCARANO, G ;

ZHENG, CD .

ACTA CRYSTALLOGRAPHICA SECTION A, 1988, 44 :45-51

[10] The ab initio crystal structure solution of proteins by direct methods .6. Complete phasing up to derivative resolution [J].

Giacovazzo, C ;

Siliqi, D ;

Platas, JG ;

Hecht, HJ ;

Zanotti, G ;

York, B .

ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1996, 52 :813-825