Dear users, I wanted a small clarification, I was solving a ligand data in H3 space group with a dimer as the asymmetric unit.
Initially, I had solved and refined this without using the same Rfree reflections as that of native data. So I resolved and refined the same data by considering the native Rfree reflections. In both the cases after the final refinement, the R and Rfree had reasonably good values. The problem arose when I compared the maps of data - (1) solved without same Rfree as that of native and (2) solved with same Rfree as that of the native They did not superpose at all. How is this possible? Although it is originally the same data and in each case the map traced the molecule very well, but when both maps are opened in coot they do not superpose at all. I would like to mention that the data has a pseudo translation symmetry with 17% peak. Is this responsible for the results I am getting? I hope one day there will be a program in CCP4 called "EFFORTLESS" which gives a structure from a given sequence!! :) Thanking you Regards Kavya -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean.
