I am not happy with an Rmerge of 20%. Also what is the Rmerge and redundancy in the highest shell, i.e. do you really have the resolution of 2.9?
How did you collect this data? SR or lab. James Phillips On Wed, Jun 14, 2017 at 8:09 AM, 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 > > >
