Dear xplor users,
I am refining a protein structure with Mn2+ in it, but I'm not sure
if the SCATter parameters I'm using are right. I am concerned, because
the waters are getting very close to the metal ions during the refinement.
COuld someone please send me the SCATter values they would recommend
using with Mn2+. Currently I have SCATter parameters for Mn as follows:
SCATter ( chemical MN* )
9.78094 4.98303 7.79153 0.30421 4.18544 11.4399 0.72736 27.7750 0.51454
but these are originally Zn2+ -values.
Also I would be interested on what kind of distances I should expect for
the metal-water interactions, and should I expect the same values for
Turku Centre for Biotechnology