Dear CCP4 bulletin board
I am trying to solve structure with molecular-replacement. I have got good
solution using Phaser. The refined structure fits well to electron density and
appears reasonable in terms of geometry, ramachandran, rotamers etc. The
problem I experience is that there are very many clashes and MolProbity check
gives a score of 34th percentile and when I refine, the Rfree does not go
below
30% for under 2A resolution. I tried reprocessing in different space group
(from P212121 to P21) and also got a MR solution. In P21 number of clashes was
reduced but still very high and Rfree was slightly reduced but the gap between
Rfree and R was still high. I am not sure what this means and how I can sort
out the problem of so many clashes? Any suggestions would be helpful and
appreciated
regards
Careina
