Recent developments in phasing and structure refinement for macromolecular crystallography

被引：21

作者：

Adams, Paul D. ^{[1
,2
]}

Afonine, Pavel V. ^{[1
]}

Grosse-Kunstleve, Ralf W. ^{[1
]}

Read, Randy J. ^{[3
]}

Richardson, Jane S. ^{[4
]}

Richardson, David C. ^{[4
]}

Terwilliger, Thomas C. ^{[5
]}

机构：

[1] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA

[2] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA

[3] Cambridge Inst Med Res, Cambridge CB2 0XY, England

[4] Duke Univ, Med Ctr, Dept Biochem, Durham, NC 27710 USA

[5] Los Alamos Natl Lab, Los Alamos, NM 87545 USA

来源：

CURRENT OPINION IN STRUCTURAL BIOLOGY | 2009年 / 19卷 / 05期

基金：

英国惠康基金;

关键词：

ANISOTROPIC THERMAL PARAMETERS; NORMAL-MODE REFINEMENT; MAXIMUM-LIKELIHOOD; MOLECULAR-REPLACEMENT; X-RAY; DENSITY-MODIFICATION; STRUCTURE VALIDATION; ACCURACY; INFORMATION; DIFFRACTION;

D O I：

10.1016/j.sbi.2009.07.014

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Central to crystallographic structure solution is obtaining accurate phases in order to build a molecular model, ultimately followed by refinement of that model to optimize its fit to the experimental diffraction data and prior chemical knowledge. Recent advances in phasing and model refinement and validation algorithms make it possible to arrive at better electron density maps and more accurate models.

引用

页码：566 / 572

页数：7

共 67 条

[1] Methods used in the structure determination of bovine mitochondrial F-1 ATPase
Abrahams, JP
Leslie, AGW
[J]. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1996, 52 : 30 - 42
[2] Generalized X-ray and neutron crystallographic analysis: more accurate and complete structures for biological macromolecules
Adams, Paul D.
Mustyakimov, Marat
Afonine, Pavel V.
Langan, Paul
[J]. ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 : 567 - 573
[3] Extending the limits of molecular replacement through combined simulated annealing and maximum-likelihood refinement
Adams, PD
Pannu, NS
Read, RJ
Brunger, AT
[J]. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1999, 55 : 181 - 190
[4] PHENIX:: building new software for automated crystallographic structure determination
Adams, PD
Grosse-Kunstleve, RW
Hung, LW
Ioerger, TR
McCoy, AJ
Moriarty, NW
Read, RJ
Sacchettini, JC
Sauter, NK
Terwilliger, TC
[J]. ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2002, 58 : 1948 - 1954
[5] A robust bulk-solvent correction and anisotropic scaling procedure
Afonine, PV
Grosse-Kunstleve, RW
Adams, PD
[J]. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 2005, 61 : 850 - 855
[6] Arendall W. Bryan III, 2005, Journal of Structural and Functional Genomics, V6, P1, DOI 10.1007/s10969-005-3138-4
[7] Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase
Blakeley, Matthew P.
Ruiz, Federico
Cachau, Raul
Hazemann, Isabelle
Meilleur, Flora
Mitschler, Andre
Ginell, Stephan
Afonine, Pavel
Ventura, Oscar N.
Cousido-Siah, Alexandra
Haertlein, Michael
Joachimiak, Andrzej
Myles, Dean
Podjarny, Alberto
[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2008, 105 (06) : 1844 - 1848
[8] Refinement of severely incomplete structures with maximum likelihood in BUSTER-TNT
Blanc, E
Roversi, P
Vonrhein, C
Flensburg, C
Lea, SM
Bricogne, G
[J]. ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2004, 60 : 2210 - 2221
[9] GEOMETRIC SOURCES OF REDUNDANCY IN INTENSITY DATA AND THEIR USE FOR PHASE DETERMINATION
BRICOGNE, G
[J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1974, A 30 (MAY1): : 395 - 405
[10] FREE R-VALUE - A NOVEL STATISTICAL QUANTITY FOR ASSESSING THE ACCURACY OF CRYSTAL-STRUCTURES
BRUNGER, AT
[J]. NATURE, 1992, 355 (6359) : 472 - 475

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