New developments in phase refinement.
A longstanding problem in X-ray crystallography is that vital information regarding the crystal phases in missing from the experimental data that are gathered in the diffraction experiment. Prior knowledge needs to be introduced in order to resolve phase ambiguities whenever the diffraction data are not sufficient to unequivocally reconstruct the crystal phases through anomalous or isomorphous differences. Very recent developments include progress in the application of direct methods to small proteins and other compounds of a similar small size (Shake 'n' Bake, SHELXD, CRUNCH and SIR96), bias-free refinement through the gamma-correction (Solomon), improvements in the determination of phase probability distributions (SHARP) and automated atomic refinement (wARP).
Abrahams
J P
JP
Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, The Netherlands. Abrahams@chem.leidenuniv.nl
De Graaff
R A
RA
D018360:Crystallography, X-Ray / Q000379:methods*; D008956:Models, Chemical