In addition: pdb-redo automatically makes (homology-based) hydrogen bond restraints for Refmac at this resolution. You could gibe those a try.
Cheers, Robbie Sent from my Windows 10 phone From: Sudipta Bhattacharyya<mailto:sudiptabhattacharyya.iit...@gmail.com> Sent: 13 July 2017 06:25 To: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> Subject: Re: [ccp4bb] Stable Refinement as Low(ish) resolution 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" <rhys.grin...@monash.edu<mailto:rhys.grin...@monash.edu>> 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<tel:+61%203%209902%209213> +61 (0)403 896 767<tel:+61%20403%20896%20767>
