Dear users, I have refined a structure in R3 with cadmium bound to it, which was present in the crystallization condition. There are 2 chains in the asu. The structure is twinned. R and Rfree is around 22% and 28%. One of the cadmium has extremely high B-factor of 127, I tried replacing it with water, but there were positive peaks appearing after refinement, no other components in the protein buffer or crystallization condition fit there. and there are 2 glutamate residues in the interaction distance of "X" that come in that position. So kindly suggest me whether I need to continue with cadmium ion assuming that its occupancy is low, or any other options are there?
Thanking you With regards M. Kavyashree -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean.
