Hi Khoa, How many rounds of refine and rebuild have you gone through on the graphics?
Have you tried Lorestr in CCP4 (Automated refinement of macromolecular structures at low resolution using prior information, Oleg Kovalevskiy, Robert A. Nicholls and Garib N. Murshudov). Ben [At 2.9A resolution traditionallly I would calculate maps with refmac, phenix and buster with and without tls refinement. Then go through the structure looking at all maps and rebuilding. Information content at 2.9A is sometimes limited and structural changes only appear slowly with careful refinement (5-10 rounds).] On 14 Jun 2017, at 14:09, Khoa Pham <khoa.p...@einstein.yu.edu> wrote: Dear CCP4 members, I am refining a structure with a resolution of ~ 2.9 A and the Rwork/Rfree are are 0.34/0.37, respectively. My question is that these Rwork/Rfree are acceptable for publication. If not, how can I reduce them? Thank you. Khoa The table of statics. Space group C121 Resolution (Å) 29.69-2.92 No of unique reflections 61569 (8747) Rmerge (%) 20 (350) Rpim (%) 11 (198) I/s(I) 8.3 (0.5) CC1/2 0.99 (0.33) CCanomalous N/A Completeness (%) 98.5 (95.8) Redundancy 4.2 (4.0) Refinement Resolution (Å) 29.69-2.92 No of reflections 58394 (4069) Rwork/Rfree 0.3380/0.3689 R.m.s. deviations Bond lengths (Å) 0.0073 Bond angles (o) 1.1062 Dr Ben Bax York Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD ben.d.v....@gmail.com
