Is the oxidation state of the coordinated atom, or the identity of that atom correct? If there was a very slightly bigger atom, it would take care of the positive residual density and would push out the His side chains a little bit, which in turn could take care of the negative ones. Or, the same effect could be achieved if the coordination distances end up being slightly longer by identifying the "correct" atom or oxidation state. Good luck! Nukri
On Mon, Feb 22, 2021 at 12:22 PM Patrick Needham <needh...@miamioh.edu> wrote: > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
