Hey David,
You can do Mn2+ identification by its anomalous diffraction using the Cu
Kalpha radiation. Mn is an anomalous scatterer at Cu Kalpha (1.5418 A),
despite being distant from its absorption edge (somewhere around 1.96 A
if I remember well). I did this for a double-manganese bound
Hi David,
You can use Sheldrick's Calcium Bond Valence Sum to descriminate
between metals (see Muller, P., Kopke, S., and Sheldrick, G. M. (2003)
Acta Crystallogr., Sect. D: Biol. Crystallogr. 59, 32-37) even at low
resolution. I have had good success with this method combined with
estimation
In cases like this I use the S atoms to calibrate the peak height.
Of course it isnt definitive a) it is near the noise level, and b) peak
height is very dependent on B factor..
But the ratio might distinguish between an atom with an f of 1.3 or f=2.8
Eleanor
David Briggs wrote:
Dear all.
I
Although the peak height of S atoms can be used as an internal yardstick,
one has to worry about differences in occupancy and possibly hetergeneous
sites (i.e. Ca, Mn and Mg) which can confuse the interpretation of the
results.
On Mon, 16 Apr 2007, Eleanor Dodson wrote:
In cases like this I
