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 all the reviewers should be required by the journals.
I actually tried to force Cell to do this in 2006, or at least provide a link to our password-protected website, but they balked. I did manage to sneak in a pymol saved session with the MAD and composite omit maps, and at least one of the referees thanked us for that. [EMAIL PROTECTED] wrote: > 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 students out there: making Rfree go down a > bit by putting a water in every unexplained blob is NOT the same as > building a good model! > I'm afraid I reviewed one of these (sans coordinates) ... so sorry to > the community ... it wasn't obvious from table 1. > Phoebe > > > --------------------------------------------------------------------------------------------------------------------------- > Phoebe A. Rice > Assoc. Prof., Dept. of Biochemistry & Molecular Biology > The University of Chicago > phone 773 834 1723 > fax 773 702 0439 > http://bmb.bsd.uchicago.edu/index.html > http://www.nasa.gov/mission_pages/cassini/multimedia/pia06064.html >
