Dear all, I am refining structures containing disulfides using refmac. Many of the disulfides are partly broken due to radiation damage.
I tried modeling alternative conformations (i.e. one cysteine pair in a disulfide and the other pair as free thiols), but after refinement the reduced form is forced back to its original position forming a disulfide bridge and resulting in difference density in the fo-fc map. How do I prevent a disulfide bond from being defined for the free thiol? Best regards, Joel Heim University of Oslo ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
