I asked the CCP4 experts this question a while back--maybe try
searching the archive? There were some very helpful comments.
Jacob
On Tue, Aug 2, 2011 at 1:24 PM, Young-Jin Cho <[log in to unmask]> wrote:
> Dear CCP4 experts,
>
> I would like to ask if there is a clear way to distinguish Na+ and HOH
> molecules in the electron density map. The table I have suggests Na
> to O distance lies between 2.35 and 2.45 that is very hard to discern
> the difference of these two candidates. Na+ may have several
> coordination though (5, 6).
>
> This started from if where the divalent metal locates can be
> substituted by water or sodium. I would appreciate any valuable
> suggestions.
>
> Best,
> Young-Jin
>
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Jacob Pearson Keller
Northwestern University
Medical Scientist Training Program
cel: 773.608.9185
email: [log in to unmask]
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