After
we refine the structure of the protein to satisfactory with
satisfactory Rwork and Rfree, we pick water by phenix refine, and I find
Rfree always increases slightly after the water picking refinment.
Do you have nay idea to solve this problem or any comment?
Just a reminder: there is phenixbb mailing list for Phenix related questions.
Replying to your post: phenix.refine uses very sophisticated criteria for water update (which doen't mean there is no room for further improvement of course). If you believe it placed or removed a wrong water please submit a bug report to me that should include:
1) all input files (reflection data, PDB file with the model, CIF ligand and parameter files if any);
2) the command you used to run the program;
3) explain which waters you believe are wrong.
Pavel.