Dear users, I am using refmac 5.7.0029 for refining a structure (resolution 2.2 Ang) bound to 2 ligands. After MR There is a very clear density of ligands but after refinement, I get negative fofc map near one of the ligand upto 5 sigma. However its 2fofc map covers the whole ligand. Also for the other ligand, I do not see any 2fofc density (at 3 sigma) for 2 atoms, without these atoms the ligand is unrealistic. But the density comes up around these at around 0.7 sigma. Overall completeness is 99.9% Rmerge 7.5%
What else I need to check in the data. Kindly provide some suggestions. Thanking you Regards Kavya -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean.
