Hello,
I've actually seen this in a couple structures resently. Try refinement with autoBuster instead, it did the trick for us! Good luck. Marina ----------------------------------------------------------- Marina Siponen, PhD SGC/MBB Karolinska Institutet Scheeles väg 2 SE-171 77 Stockholm Sweden Phone: +46-8-524 868 42 Fax: +46-8-524 868 68 marina.sipo...@ki.se ________________________________ From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Careina Edgooms [careinaedgo...@yahoo.com] Sent: Tuesday, January 18, 2011 10:34 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] So many clashes 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
