Pretty much what the others have said, but there is a low resolution refinement pipeline in CCP4 called LORESTR (LOw-REsolution STructure Refinement). Several people I know have had good results with this. It automates the process of finding homologues, generating restraints, trying different scaling parameters etc.
In CCP4i it is “Run Low Resolution Refinement” on the refinement page. I don’t think it is in CCP4i2 yet. Jason. -- Dr Jason Busby Laboratory of Structural Biology School of Biological Sciences The University of Auckland Thomas Building 110 3A Symonds St Private Bag 92019 Auckland Mail Centre Auckland New Zealand ph: +64 9 3737599 ext 83888 On 13/07/2017, at 11:17 AM, 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 +61 (0)403 896 767
