 |
 |
Appu, There is an article in one of the PHENIX Newsletters that you might find useful (I found it useful). Check out page 30 here: http://www.phenix-online.org/newsletter/CCN_2010_07.pdf where several examples of alternate refinement strategies are given (for models derived from data cut at resolution similar to the data with which you are working), and the resulting R stats given for comparison. Regards, Emily. On Wed, Jul 22, 2015 at 10:06 AM, Appu kumar <[log in to unmask]> wrote: > Dear All, > I am facing troubles in refining structure (C2221 space group) at 4A > resolution . The current Rwork/Rfree stalls at 35.8/37.7.Given low > resolution, the total number of unique reflections accounts to 19356 while > number of atoms in pdb corresponds to 3893. At this very low resolution, the > number of available observations are insufficient to support the refinement > of four parameters (x, y Z, Biso) and therefore i think the modeled atomic > displacement (B-factors) are excessively high ranging from 100-280 which is > scary at this moment. > > Is there any illustrative parameters to work on which might be useful for > putting control over the shooting up of B-factors during refinement. I tried > incorporating the group B-factor refinement with TLS group but seems like is > not much useful. > > I would appreciate any incoming suggestions and thoughts on adopting crucial > refinement strategies pertaining to this resolution. > > Thank you > Appu