Phasing at resolution higher than the experimental resolution

被引:58
作者
Caliandro, R
Carrozzini, B
Cascarano, GL
De Caro, L
Giacovazzo, C
Siliqi, D
机构
[1] CNR, Ist Cristallog, I-70126 Bari, Italy
[2] Univ Bari, Dipartimento Geomineral, I-70125 Bari, Italy
来源
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2005年 / 61卷
关键词
D O I
10.1107/S090744490500404X
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
Limited experimental resolution is a unavoidable feature in macromolecular crystallography: it may hinder or make difficult the determination of the crystal structure. A novel procedure is presented which from an approximate electron-density map extrapolates the moduli and phases of non-measured reflections beyond and behind the experimental resolution limit. Applications to a set of test structures show that the extrapolation can be successfully accomplished. As a consequence, the phase estimates of the observed reflections are subsequently improved and the interpretability of the corresponding electron-density map increases. The use of the extrapolated values for the non-measured reflections provides additional information for the map, which shows a resolution higher than the experimental resolution.
引用
收藏
页码:556 / 565
页数:10
相关论文
共 42 条
[1]   Solving crystal structures from powder data.: IV.: The use of patterson information for estimating the |F|'s [J].
Altomare, A ;
Foadi, J ;
Giacovazzo, C ;
Moliterni, AGG ;
Burla, MC ;
Polidori, G .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1998, 31 :74-77
[2]  
[Anonymous], ACTA CRYSTALLOGR D
[3]   Structure of a copper-mediated base pair in DNA [J].
Atwell, S ;
Meggers, E ;
Spraggon, G ;
Schultz, PG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (49) :12364-12367
[4]   The x-ray crystal structure of the NF-κB p50•p65 heterodimer bound to the interferon β-κB site [J].
Berkowitz, B ;
Huang, DB ;
Chen-Park, FE ;
Sigler, PB ;
Ghosh, G .
JOURNAL OF BIOLOGICAL CHEMISTRY, 2002, 277 (27) :24694-24700
[5]   CRYSTALLIZATION AND PRELIMINARY-X-RAY DIFFRACTION STUDIES OF AN ALKALINE PROTEASE FROM BACILLUS-LENTUS [J].
BETZEL, C ;
DAUTER, Z ;
DAUTER, M ;
INGELMAN, M ;
PAPENDORF, G ;
WILSON, KS ;
BRANNER, S .
JOURNAL OF MOLECULAR BIOLOGY, 1988, 204 (03) :803-804
[6]   Structural analysis of adenylate cyclases from Trypanosoma brucei in their monomeric state [J].
Bieger, B ;
Essen, LO .
EMBO JOURNAL, 2001, 20 (03) :433-445
[7]   Structural genomics of enzymes involved in sterol/isoprenoid biosynthesis [J].
Bonanno, JB ;
Edo, C ;
Eswar, N ;
Pieper, U ;
Romanowski, MJ ;
Ilyin, V ;
Gerchman, SE ;
Kycia, H ;
Studier, FW ;
Sali, A ;
Burley, SK .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2001, 98 (23) :12896-12901
[8]   MAXIMUM-ENTROPY AND THE FOUNDATIONS OF DIRECT METHODS [J].
BRICOGNE, G .
ACTA CRYSTALLOGRAPHICA SECTION A, 1984, 40 (JUL) :410-445
[9]   SIR2004:: an improved tool for crystal structure determination and refinement [J].
Burla, MC ;
Caliandro, R ;
Camalli, M ;
Carrozzini, B ;
Cascarano, GL ;
De Caro, L ;
Giacovazzo, C ;
Polidori, G ;
Spagna, R .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2005, 38 :381-388
[10]   MAD phasing: choosing the most informative wavelength combination [J].
Burla, MC ;
Carrozzini, B ;
Cascarano, GL ;
Giacovazzo, C ;
Moustiakimov, M ;
Polidori, G ;
Siliqi, D .
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 2004, 60 :1683-1686