I haven’t tried this in a long time, but in the old days, we would have simply refined one strand.
On Mar 12, 2014, at 4:05 PM, Oleg Tsodikov <[email protected]> wrote: > 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 > >
