Advanced solution scattering data analysis methods and their applications

被引：37

作者：

Svergun, DI

机构：

[1] EMBL, Hamburg Outstn, D-22603 Hamburg, Germany

[2] Russian Acad Sci, Inst Crystallog, Moscow 117333, Russia

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2000年 / 33卷 / 01期

关键词：

D O I：

10.1107/S0021889800001370

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A method for ab initio low-resolution shape and internal structure retrieval from contrast variation solution scattering data is described. The method uses a multiphase model of a particle build from densely packed dummy atoms and employs simulated annealing to find a compact interconnected configuration of phases that fits the available experimental data. In the particular case of a single phase particle (shape determination) the method is compared to another ab initio method using low resolution envelope functions. Examples of the shape determination of several proteins from experimental X-ray scattering data are presented.

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页码：530 / 534

页数：5

相关论文

共 22 条

[1] Pentameric and decameric structures in solution of serum amyloid P component by X-ray and neutron scattering and molecular modelling analyses [J].

Ashton, AW ;

Boehm, MK ;

Gallimore, JR ;

Pepys, MB ;

Perkins, SJ .

JOURNAL OF MOLECULAR BIOLOGY, 1997, 272 (03) :408-422

[2] 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

[3] Low-resolution structures of proteins in solution retrieved from X-ray scattering with a genetic algorithm [J].

Chacón, P ;

Morán, F ;

Díaz, JF ;

Pantos, E ;

Andreu, JM .

BIOPHYSICAL JOURNAL, 1998, 74 (06) :2760-2775

[4] High resolution crystal structure of pyruvate decarboxylase from Zymomonas mobilis -: Implications for substrate activation in pyruvate decarboxylases [J].

Dobritzsch, D ;

König, S ;

Schneider, G ;

Lu, GG .

JOURNAL OF BIOLOGICAL CHEMISTRY, 1998, 273 (32) :20196-20204

[5]

Feigin L., 1987, STRUCTURE ANAL SMALL

[6] OPTIMIZATION BY SIMULATED ANNEALING [J].

KIRKPATRICK, S ;

GELATT, CD ;

VECCHI, MP .

SCIENCE, 1983, 220 (4598) :671-680

[7] Small-angle X-ray solution-scattering studies on ligand-induced subunit interactions of the thiamine diphosphate dependent enzyme pyruvate decarboxylase from different organisms [J].

König, S ;

Svergun, DI ;

Volkov, VV ;

Feigin, LA ;

Koch, MHJ .

BIOCHEMISTRY, 1998, 37 (15) :5329-5334

[8] ASSA, a program for three-dimensional rendering in solution scattering from biopolymers [J].

Kozin, MB ;

Volkov, VV ;

Svergun, DI .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1997, 30 (02) :811-815

[9] Structures of calmodulin and a functional myosin light chain kinase in the activated complex: A neutron scattering study [J].

Krueger, JK ;

Olah, GA ;

Rokop, SE ;

Zhi, G ;

Stull, JT ;

Trewhella, J .

BIOCHEMISTRY, 1997, 36 (20) :6017-6023

[10] Conformations of myosin subfragment 1 ATPase intermediates from neutron and X-ray scattering [J].

Mendelson, RA ;

Schneider, DK ;

Stone, DB .

JOURNAL OF MOLECULAR BIOLOGY, 1996, 256 (01) :1-7