Dear Bert That is a limitation, I agree. Suffice to say the clarity of details seen, or not seen, will not get better in the 'real' situation. The resolution 'limit' based on CC 1/2 also now needs to be considered (in addition to <I/sigI> criterion). John
On 17 Apr 2015, at 17:59, Bert Van-Den-Berg <bert.van-den-b...@newcastle.ac.uk> wrote: > 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 > 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> 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
