Optimization of data collection taking radiation damage into account

被引:110
作者
Bourenkov, Gleb P. [2 ]
Popov, Alexander N. [1 ]
机构
[1] European Synchrotron Radiat Facil, F-38043 Grenoble, France
[2] DESY, EMBL Hamburg Outstn, D-22607 Hamburg, Germany
来源
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2010年 / 66卷
关键词
X-RAY-DIFFRACTION; MACROMOLECULAR CRYSTALS; PROTEIN CRYSTALS; RECONSTRUCTION; ABSORPTION; SIMULATION;
D O I
10.1107/S0907444909054961
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
To take into account the effects of radiation damage, new algorithms for the optimization of data-collection strategies have been implemented in the software package BEST. The intensity variation related to radiation damage is approximated by log-linear functions of resolution and cumulative X-ray dose. Based on an accurate prediction of the basic characteristics of data yet to be collected, BEST establishes objective relationships between the accessible data completeness, resolution and signal-to-noise statistics that can be achieved in an experiment and designs an optimal plan for data collection.
引用
收藏
页码:409 / 419
页数:11
相关论文
共 36 条
[1]   THE CCP4 SUITE - PROGRAMS FOR PROTEIN CRYSTALLOGRAPHY [J].
BAILEY, S .
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1994, 50 :760-763
[2]   A quantitative approach to data-collection strategies [J].
Bourenkov, GP ;
Popov, AN .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2006, 62 :58-64
[3]  
BOURENKOV GP, 2006, 4 INT WORKSH XR DAM
[4]   X-ray tomographic reconstruction of macromolecular samples [J].
Brockhauser, Sandor ;
Di Michiel, Marco ;
McGeehan, John E. ;
McCarthy, Andrew A. ;
Ravelli, Raimond B. G. .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2008, 41 :1057-1066
[5]   Structural changes in a cryo-cooled protein crystal owing to radiation damage [J].
Burmeister, WP .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2000, 56 :328-341
[6]   Maximum-likelihood heavy-atom parameter refinement for multiple isomorphous replacement and multiwavelength anomalous diffraction methods [J].
delaFortelle, E ;
Bricogne, G .
MACROMOLECULAR CRYSTALLOGRAPHY, PT A, 1997, 276 :472-494
[7]   Simulation of X-ray frames from macromolecular crystals using a ray-tracing approach [J].
Diederichs, Kay .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :535-542
[8]   Strain relief at the active site of phosphoserine aminotransferase induced by radiation damage [J].
Dubnovitsky, AP ;
Ravelli, RBG ;
Popov, AN ;
Papageorgiou, AC .
PROTEIN SCIENCE, 2005, 14 (06) :1498-1507
[9]   Scaling and assessment of data quality [J].
Evans, P .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2006, 62 :72-82
[10]   Cryocooling and radiation damage in macromolecular crystallography [J].
Garman, EF ;
Owen, RL .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2006, 62 :32-47