The minimum crystal size needed for a complete diffraction data set.

ABSTRACT: In this work, classic intensity formulae were united with an empirical spot-fading model in order to calculate the diameter of a spherical crystal that will scatter the required number of photons per spot at a desired resolution over the radiation-damage-limited lifetime. The influences of molecular weight, solvent content, Wilson B factor, X-ray wavelength and attenuation on scattering power and dose were all included. Taking the net photon count in a spot as the only source of noise, a complete data set with a signal-to-noise ratio of 2 at 2 A resolution was predicted to be attainable from a perfect lysozyme crystal sphere 1.2 microm in diameter and two different models of photoelectron escape reduced this to 0.5 or 0.34 microm. These represent 15-fold to 700-fold less scattering power t

SUBMITTER: Holton JM 

PROVIDER: S-EPMC2852304 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature