Dear Xplor users, I want to set up a structure calculation run for a membrane protein in presence of an SDS micelle. I used PRE restraints and a minimal set of NOE data as well as chemical shift information. During the calculation there is no convergence to a single structure. I wondered if this might be due to the fact, that the PRE restraints are rather rong-range in nature. Therefore, the use of a micelle during the calculation might help to provide an 'alignment' frame for the protein which lies on the surface of the micelle.
Comments on how to set up such a run would be great to have! Thanks, Franz __________________________________ Dr. Franz Hagn Center for Integrated Protein Science Department Chemie Technische Universit?t M?nchen Lichtenbergstrasse 4 D-85747 Garching Germany Phone: +49 (0)89 289 13760 Fax: +49 (0)89 289 13210 E-mail: franz.hagn at ch.tum.de
