A software system for rigid-body modelling of solution scattering data

被引:26
作者
Kozin, MB
Svergun, DI
机构
[1] European Mol Biol Lab, D-22603 Hamburg, Germany
[2] Russian Acad Sci, Inst Crystallog, Moscow 117333, Russia
[3] GKSS Res Ctr, Geesthacht, Germany
关键词
D O I
10.1107/S0021889800001382
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A computer system for rigid body modelling against solution scattering data is described. Fast algorithms to compute scattering from a complex of two arbitrary positioned subunits are implemented and coupled with the graphics program ASSA (Kozin, Volkov & Svergun, 1997, J. Appl. Cryst. 30, 811-815). Mutual positions and orientations of the subunits (represented by low-resolution envelopes or by atomic models) can be determined by interactively fitting the experimental scattering curve from the complex. The system runs on the major Unix platforms (SUN, SGI and DEC workstations).
引用
收藏
页码:775 / 777
页数:3
相关论文
共 14 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]  
Bevington R., 1969, DATA REDUCTION ERROR
[4]  
DALLMANN HG, 1992, J BIOL CHEM, V270, P24609
[5]  
Edmonds A. R., 1957, Angular Momentum in Quantum Mechanics
[6]  
GRUEBER G, 1996, J BIOL CHEM, V271, P32623
[7]   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
[8]   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
[9]   CRYSOL - A program to evaluate x-ray solution scattering of biological macromolecules from atomic coordinates [J].
Svergun, D ;
Barberato, C ;
Koch, MHJ .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1995, 28 :768-773
[10]   A model of the quaternary structure of the Escherichia coli F1 ATPase from X-ray solution scattering and evidence for structural changes in the delta subunit during ATP hydrolysis [J].
Svergun, DI ;
Aldag, I ;
Sieck, T ;
Altendorf, K ;
Koch, MHJ ;
Kane, DJ ;
Kozin, MB ;
Grüber, G .
BIOPHYSICAL JOURNAL, 1998, 75 (05) :2212-2219