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 [[email protected]] on behalf of Faisal Tarique [[email protected]] Sent: Wednesday, April 30, 2014 7:01 AM To: [email protected] 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
