Hi everybody,
once more I need your help. I solved the structure of an enzyme at resolution of 1.9 A. Now I was trying to get a complex and soaked some ligand to my crystals. I could solve the structure (and see poor density for my ligand or something else) at 3.0 A by molecular replacement using my 1.9A structure as a starting model. But the problem is now, that I got an R-work of 16.34 and an r-free of 20.23 for the new 3.0 A structure - without adding any waters or solvent/ligand molecules. The r-factors are even better than the ones I got for the 1.9A structure. So I think something is wrong with the whole thing. I observed twinning for both data and used the twin refinement option in refmac, but the results stay more or less the same.
Any suggestions what to do? Thanks a lot,
Paul
