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At most wavelengths, you should see a peak for Cd in an anomalous
difference map, while Mg has very little signal. This test would
demonstrate the presence of Cd; I think that in the absense of other
evidence I would model the site simply as partially occupied Cd++.
kmj
Sara Elizabeth Cnudde wrote:
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Hi,
I have a structure that I'm refining that I believe has a metal site in
which 50% of the time it's occupied by cadmium and the other 50% of the
time this same site is occupied by magnesium. How can I really tell if
this is true? If I put Mg in with 100% occupancy I see a lot of
density in my fo-fc map contoured at 3 sigma indicating that this is
incorrect. However, if I put in Cd with 50% occupancy I no longer see
this density but if the Cd has 100% occupancy I see density in the fo-fc
map contoured at -3 sigma.
Thanks,
Sara
