There are plenty of structures in the database with R-sym=0.99. But something is odd here. If I understand R-pim, it should always be bigger than Rsym, because this factor of sqrt(N/(N-1)) is always >1 Are you saying Rpim is .30 and Rsym is 1.00?
Last time I deposited a structure, Rsym and Rmerge in the last shell are optional. I would leave it out and rely on the excellent I/sigI in the last shell, and use all the data (provided after refinement R-free in the last shell is < .4). Ed Daniel Bonsor wrote:
Hello again. At first I was not worry but maybe now I am. I have completed a structure and submitted to the PDB. They queried my Rsym value in the highest resolution bin, 2.5-2.37A (may I dare say it 100%). I was not worried at the time as I had: 99.4% completeness Mean(I/sdI) of 2.5 and a redundancy of 11 (which would explain the high Rsym) Space group I422 My Rpim in this shell is 30%. Should I reduce the resolution and start from scratch again or is everything fine and dandy and I should stop worrying?
