John, the lower-resolution datasets in your paper were generated by truncating a high-res dataset, i.e. the "lo-res" datasets are of great quality. Would the conclusions still be valid if the data are "true low-res"? (i.e. I/sigI 1.5-2 in last shell)?
Tx Bert ________________________________ From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of John R Helliwell [jrhelliw...@gmail.com] Sent: Friday, April 17, 2015 5:47 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Picking water molecules at 4A structure. Hi, This paper:- doi:10.1107/S0907444903004219<http://dx.doi.org/10.1107/S0907444903004219> I think will be of interest. Whilst 4 Angstrom resolution is not covered the article will indicate the tests you could make to evaluate your 'possible water like densities'. Best wishes, John On Mon, Apr 13, 2015 at 7:14 PM, Sudipta Bhattacharyya <sudiptabhattacharyya.iit...@gmail.com<mailto:sudiptabhattacharyya.iit...@gmail.com>> wrote: Dear community, Recently we have been able to solve a crystal structure of a DNA/protein complex at 4A resolution. After almost the final cycles of model building and refinement (with R/Rfree of ~ 22/27) we could see some small water like densities...all throughout the complex. Now my query is, whether one should pick water molecules at this low resolutions or it is totally unscientific to do so? Many thanks in advance...!!! My best regards, Sudipta. -- Professor John R Helliwell DSc
