Hi Radhika, R-factor value is almost useless unless you know the resolution (which you did not tell us): 26% is ok for 3A resolution and is nonsense for 1A, for example. The Rfree-Rwork gap is obviously large, suggesting sub-optimal refinement strategy. Try optimizing weights, let program update (add/remove/refine) water. You can send me model and data files for further diagnostics.
Pavel On Mon, Nov 13, 2017 at 3:45 PM, Radhika Singh <[email protected]> wrote: > Hello All, > > I am currently working on the structure of a DNA protein complex. The > data has been processed in space group P1 (53.042 59.527 78.526 105.24 > 98.03 106.99 P 1, Rpim 11.7%). At this stage I have almost 85% model is > complete but my R/Rfree is stuck as 26%/34%. > > I have some concerns and questions: > * Xtriage says there are a large number of outliers; however no > pseudotranslational symmetry is detected by the program. What are the > other reasons for outliers? > > * I am trying phenix.refine for refinement with the default settings. Is > there any special setting that can help me? > > I would like to have some suggestions about my problem. > > Thanks in advance > > Radhika > >
