Refmac takes its spacegroup fro the MTZ file, so if it isn't P32 2 1 then the refinement will be wrong. You may have to change the spacegroup in the file
Phil On 18 Jul 2012, at 17:28, Deepthi wrote: > Hi all > > I am working with a small mutant protein which is 56 amino acids long. The > crystal diffracted at 1.4A0 and the space group is p3221. I did molecular > replacement using Phenix software with all the data (1.4A0) and got a > solution. Phenix did auto building with waters and R-free was 0.3123. > > I mutated some residues which don't align with the model protein to > Alanines. When i change the residues back to their respective side chains > Refmac5 won't refine it well. The maps looks clear( you can guess its 1.4A0 > data) but R-free is shooting up to 0.41. It is not accepting any changes to > the Phenix generated model. I have no idea what is going on. Can anyone help > me? > > Thank You in advance > Deepthi > >
