I am interested in the ensemble refinement procedure described by Schweiters & Clore in Biochem. 2007, 46, 1152-1166 to characterize the structure and dynamics of a DNA molecule. A large number of RDC restraints in multiple alignment media were used in the refinement described in the article. Unfortunately, I have only NOE and coupling data at present, but am planning to obtain SAX/LAXS data, and probably have enough sample to obtain 1H-1H and 1H-P31 RDCs in a single alignment medium. Can anyone comment on how may RDCs and alignment media are actually required to accurately characterize solution dynamics? How does one check on whether or not enough restraints have been included in the refinement to accurately characterize the dynamics?
Best regards, Eugene Eugene DeRose, Ph.D. NIEHS NMR Laboratory Manager Global Health Sector SRA International, Inc. Contractor to NIEHS/DIR National Institute of Environmental Health Sciences Research Triangle Park, NC 27709 919.541.1981 voice 919.541.5707 fax derose at niehs.nih.gov www.niehs.nih.gov www.sra.com Enhancing Human Health Around the World Everyday --
