[phenixbb] problem phenix ensemble

Firas FADEL fadel at igbmc.fr
Tue Feb 25 11:04:11 PST 2014


I am using phenix ensemble to refine an X-ray structure of a protein (40kDa) at 1.05 A in complex with a ligand.

The occupancy of the ligand is 73%. After refining the structure, I found out that the program confused the position of the ligand and put some water molecules.

Do you have any suggestion or a command to avoid this problem.

If you need details I can send you the mtz and pdb files.

Thanks in advance.

Firas Fadel

Institut de Génétique et de Biologie Moléculaire et Cellulaire, IGBMC
Equipe Alberto PODJARNY,
1 Rue Laurent Fries, 67404 Illkirch-France
Email : fadel at igbmc.fr<mailto:fadel at igbmc.fr>
Tel: + 33 (0) 3 88 65 33 13<tel:%2B%2033%20%280%29%203%2088%2065%2033%2013>
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