Hello,

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

Firas FADEL

Institut de Génétique et de Biologie Moléculaire et Cellulaire, IGBMC
Equipe Alberto PODJARNY,
1 Rue Laurent Fries, 67404 Illkirch-France
Email : [email protected]
Tel: + 33 (0) 3 88 65 33 13