Uniqueness of ab initio shape determination in small-angle scattering

被引:1651
作者
Volkov, VV
Svergun, DI
机构
[1] Russian Acad Sci, Inst Crystallog, Moscow 117333, Russia
[2] DESY, European Mol Biol Lab, D-2000 Hamburg, Germany
关键词
small-angle scattering; shape determination; uniqueness; structure modeling;
D O I
10.1107/S0021889803000268
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Scattering patterns from geometrical bodies with different shapes and anisometry (solid and hollow spheres, cylinders, prisms) are computed and the shapes are reconstructed ab initio using envelope function and bead modelling methods. A procedure is described to analyze multiple solutions provided by bead modeling methods and to estimate stability and reliability of the shape reconstruction. It is demonstrated that flat shapes are more difficult to restore than elongated ones and types of shapes are indicated, which require additional information for reliable shape reconsrtuction from the scattering data.
引用
收藏
页码:860 / 864
页数:5
相关论文
共 20 条
[1]   Solution structural studies and low-resolution model of the Schizosaccharomyces pombe sap1 protein [J].
Bada, M ;
Walther, D ;
Arcangioli, B ;
Doniach, S ;
Delarue, M .
JOURNAL OF MOLECULAR BIOLOGY, 2000, 300 (03) :563-574
[2]   Biophysical characterization of the C-propeptide trimer from human procollagen III reveals a tri-lobed structure [J].
Bernocco, S ;
Finet, S ;
Ebel, C ;
Eichenberger, D ;
Mazzorana, M ;
Farjanel, J ;
Hulmes, DJS .
JOURNAL OF BIOLOGICAL CHEMISTRY, 2001, 276 (52) :48930-48936
[3]   Reconstruction of protein form with X-ray solution scattering and a genetic algorithm [J].
Chacón, P ;
Díaz, JF ;
Morán, F ;
Andreu, JM .
JOURNAL OF MOLECULAR BIOLOGY, 2000, 299 (05) :1289-1302
[4]   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
[5]  
Debye P, 1915, ANN PHYS-BERLIN, V46, P809
[6]   Effects of ligand binding on the association properties and conformation in solution of retinoic acid receptors RXR and RAR [J].
Egea, PF ;
Rochel, N ;
Birck, C ;
Vachette, P ;
Timmins, PA ;
Moras, D .
JOURNAL OF MOLECULAR BIOLOGY, 2001, 307 (02) :557-576
[7]  
Feigin L., 1987, STRUCTURE ANAL SMALL
[8]  
GROSSMANN JG, 2000, J BIOL CHEM
[9]   Automated matching of high- and low-resolution structural models [J].
Kozin, MB ;
Svergun, DI .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2001, 34 :33-41
[10]  
KRATKY O, 1978, Q REV BIOPHYS, V11, P39, DOI 10.1017/S0033583500001918