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Re: [ccp4bb]: Can I find a zinc in a haystack?
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> Depends upon the quality of the crystal and your data quality and
> redundancy. We are able to easily measure anomalous differences at the
> Fe K-edge for a protein of similar size (soybean L-1 lipoxygenase, 94 kDa,
> typical diffraction to 1.6 angstroms), so I wouldn't hesitate to try.
The Bijvoet signal can be estimated from
Na - number of Zn(Fe) atoms per protein molecule
Np - number of non-H atoms in the protein molecule
Zef - average atomic number in proteins (~6.7)
Assuming ~94kD protein (about 7015 non-H atoms) and one Fe atom (f''~3.9)
the signal will be at the level of ~1%, unless the f'' at peak is much
higher due to the presence of the "white lines", but this is usually
observed at the L edges.
I wonder how strong was your Bijvoet signal and if this would be enough
to solve your structure doing MAD at the Fe K-edge?