Hello all, I believer the suggested matrix weight for running refmac is 'auto'. I'm at the end of refinment for a data set that I've cut at 1.59 A, so maps are pretty. Here's the logfile with auto weighting ...
NOTE bond rmsds !!!!!!! REMARK 3 R VALUE (WORKING SET) : .15481 REMARK 3 FREE R VALUE : .18739 REMARK 3 BOND LENGTHS REFINED ATOMS (A): 4387 ; .033 ; .022 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 5972 ; 2.776 ; 1.990 Am I correct that at this resolution one should aim for bond rmsds of < 0.02. e.g for a weight of 1.0 the rmsd is 0.017, which seems more reasonable. REMARK 3 R VALUE (WORKING SET) : .16228 REMARK 3 FREE R VALUE : .19032 REMARK 3 BOND LENGTHS REFINED ATOMS (A): 4387 ; .017 ; .022 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 5972 ; 1.689 ; 1.990 I know this has been discussed many times before, but expert opinion always appreciated. Thanks - Mark
