Hi Rhys, Along with what others have suggested, you can always try prosmart refinement. I found it really helpful in my cases.
Best of luck, Sudipta. Sudipta Bhattacharyya Postdoctoral research fellow University of Texas at Austin Texas, USA. On Jul 12, 2017 6:20 PM, "Rhys Grinter" <[email protected]> wrote: > Dear All, > > I'm currently in the process of refining a low(ish) resolution structure > at 3.2 Ang, with a fair level of anisotropy. I processed the data through > the anisotropy server (https://services.mbi.ucla.edu/anisoscale/), which > elliptically truncated the data to 4.0, 3.8 and 3.2 Ang. This really > improved the maps and allowed me to trace the majority of the chain and > build most side chains. > > The R-factors are reasonable (0.29 work and 0.35 free respectively). but > I'm having trouble with over fitting in refinement as I continue to refine. > What parameters/restraints would the community generally use when refining > this kind of structure? Additionally Refmac doesn't seem to read the > structure factors from the anisotropy server output file properly, giving > vastly inflated R values and strange looking maps. > > Cheers, > > Rhys > > -- > Dr Rhys Grinter > Sir Henry Wellcome Fellow > Monash University > +61 (0)3 9902 9213 <+61%203%209902%209213> > +61 (0)403 896 767 <+61%20403%20896%20767> >
