Thanks Yuriy and Pavel, at this resolution one would expect R/Rfree to be ~ 10-11%/12-13% assuming you applied anisotropic B-factor refinement ( and probably having a low symmetry SG). R merge of 80% may be OK if I/sig for high res shell is >2.
Yes, I used anisotropic Bfactors and the space group is P1 21 1. However, the I/sig is only 1.5 in the highest shell. Cutting the data such that the I/sig is >2 has improved the R factors. Thank you. Maps get worse.... Could it be when you use all resolution range you get 59% of missing reflections in highest resolution shell filled in with DFc for the purpose of map calculation? Yes! the map that I was looking at was filled. Emily On 27 August 2013 09:49, Emily Golden <10417...@student.uwa.edu.au> wrote: > Hi All, > > I have collected diffraction images to 1 Angstrom resolution to the edge > of the detector and 0.9A to the corner. I collected two sets, one for > low resolution reflections and one for high resolution reflections. > I get 100% completeness above 1A and 41% completeness in the 0.9A-0.95A > shell. > > However, my Rmerge in the highest shelll is not good, ~80%. > > The Rfree is 0.17 and Rwork is 0.16 but the maps look very good. If I > cut the data to 1 Angstrom the R factors improve but I feel the maps are > not as good and I'm not sure if I can justify cutting data. > > So my question is, should I cut the data to 1Angstrom or should I keep > the data I have? > > Also, taking geometric restraints off during refinement the Rfactors > improve marginally, am I justified in doing this at this resolution? > > Thank you, > > Emily >
