Hello,<br />
<br />
I am working on the refinement of a structure about 2.8A, which the substrate ligand has an odd conformation. A blob of negative difference density about 4.8 sigma between the one portion of the ligand and the other. If I break down the ligand into two parts, the negative density disappears, however, one part of the ligands does not fit well. We suspect a mixture of conformations.<br />
<br />
Any suggestions would be appreciated on how to setup refinement for ligands with alternative conformation.<br />
<br />
Many thanks,<br />
<br />
Yi Zheng<br />
Department of Biochemistry<br />
Michigan State University<br />