A quantitative approach to data-collection strategies.
Statistical descriptors of the X-ray diffraction data set for a macromolecular crystal can be modelled using the information present in the initial diffraction images. Quantitative relationships between the crystal quality, beam apertures, oscillation width, resolution limit, redundancy and the data statistics are presented. They are analysed in terms of the radiation-dose requirements based on modelling in program the BEST. The influence of radiation damage on the data statistics is discussed.
Bourenkov
Gleb P
GP
MPG-ASMB c/o DESY, Notkestrasse 85b, 22607 Hamburg, Germany.
Popov
Alexander N
AN
D000838:Anions; D003625:Data Collection; D001330:Electronic Data Processing; D020563:Gammaproteobacteria / Q000201:enzymology*; D015233:Models, Statistical; D010088:Oxidoreductases / Q000737:chemistry*; D012984:Software; D014961:X-Ray Diffraction / Q000295:instrumentation*
D000838:Anions; D010088:Oxidoreductases