Another option would be to collect data at the Mn K edge (1.89A) - at this
wavelength Mg has a weak anomalous signal that you should still be able to
detect. I've used Mn K edge to successfully distinguish  between Mg, Mn and
Ca ions as well as identify them as ions and not waters by looking at peaks
in the anomalous maps since peak intensity relates to anomalous signal
arising from different ions at different wavelengths.

For details, see:

http://scripts.iucr.org/cgi-bin/paper?S0907444904026800

http://www.cell.com/structure/retrieve/pii/S0969212604000243

On 21 December 2010 15:04, John Bruning <jbrun...@gmail.com> wrote:

> Hi,
>
> I'm not sure if it has been mentioned yet, but you could take an
> experimental approach if you still have crystals.  You could soak them with
> EDTA/EGTA and if the density disappears that is good evidence it was Mg (or
> other divalent cation), if not then putatively water.  You could also soak
> with Mn (assuming the Mn will bind the Mg site) and look for anomolous
> signal.
>
>
> John
>
>

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