Bond valence sum
Muller et al. Acta Cryst. (2003). D59, 32-37 if the resolution is good (better than 1.8 A)
R
On 16 Nov 2011, at 18:20, Jacob Keller wrote:
> Dear Crystallographers,
>
> I have crystals containing 666mM NH4 and 540mM Na, and there appears
> to be a "water" which is only about 2.2 Ang from some polar atoms. It
> is currently reasonably happy as a Na, but is there any reasonable way
> to decide which cation is there?
>
> JPK
>
> --
> *******************************************
> Jacob Pearson Keller
> Northwestern University
> Medical Scientist Training Program
> email: [log in to unmask]
> *******************************************
Roberto Steiner, PhD
Randall Division of Cell and Molecular Biophysics Group Leader
King's College London
Room 3.10A
New Hunt's House
Guy's Campus
SE1 1UL, London, UK
Tel 0044-20-78488216
Fax 0044-20-78486435
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