I've often wondered whether it would be more fair to report R-factors with
and without waters, since waters can be used to beautify statistics. I
also think providing pdb coordinates and Fobs with experimental phases as
supplementary information in a standard format to be supplied
automatically to
While we're still on the subject of good model-building habits and
reviewing pitfalls, I've been shocked to download a couple of
structures recently that seem to have solvent channels chock full of
allegedly ordered water (many "layers" deep, and not exactly at 0.5A
resolution). To any new stu
