Colleagues, We have determined a structure of a palindromic DNA molecule, in which one half of the DNA is in the asymmetric unit. Is there a way to tell REFMAC that there are covalent bonds across asymmetric units? Without such "LINK" records in the PDB file, REFMAC treats this as a non-covalent interaction and pushes the two DNA halfs apart. The data are at a fairly high resolution, which helps, but the repulsion is still there.
Any advice would be greatly appreciated! I imagine this situation is quite rare in macromolecular crystallography. Oleg -- Oleg Tsodikov, Ph.D. Associate Professor of Pharmaceutical Sciences University of Kentucky College of Pharmacy Department of Pharmaceutical Sciences BioPharm Bldg, Room 425 789 S. Limestone Lexington, KY 40536
