@ Jim

Me neither, i should read before i reply, my fault.

Tobias



On 30 Apr 2014, at 17:15, Jim Pflugrath <jim.pflugr...@rigaku.com> wrote:

> The anomalous signal will always come from both Ca and S and any other atoms 
> in the crystal.  One can determine whether an anomalous difference Fourier 
> peak is from a sulfur on a cysteine, methionine from the model, right?  As 
> for whether a peak that is not part of an amino acid id Ca++ or Sulfur, one 
> can use their knowledge of chemistry. 
> 
> I myself have never seen a separate peak that was a single sulfur atom.
> 
> Jim
> 
> From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Faisal Tarique 
> [faisaltari...@gmail.com]
> Sent: Wednesday, April 30, 2014 7:01 AM
> To: CCP4BB@JISCMAIL.AC.UK
> Subject: [ccp4bb] anomalous signal
> 
> Dear all
> 
> I am working on a metalloprotein which probably contains Ca at its active 
> site..The sulfur containing amino acid constitutes almost 5.4% of the total 
> amino acid residues of this protein..I have collected the data at home source 
> (CuKalpha=1.54A)..Since f'' of Sulfur is 0.56 and that of Ca is 1.28 we can 
> always expect some  anomalous signal out of the data..My question is ..how we 
> will know if the anomalous signal is coming out of Sulfur or from Calcium ?? 
> is there any method through which we can get to know the identity of the 
> scattering molecule through the data..Can FFT anomalous map from CCP4 is of 
> any help in this direction, if yes then please tell me how to interpret the 
> output from this..
> 
> -- 
> Regards
> 
> Faisal
> School of Life Sciences
> JNU

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