Dear Faisal, you could use Phenix to do an fââ refinement against the data like described here:
Liu, Q., Liu, Q. & Hendrickson, W. A. (2013). Acta Cryst. D69, 1314-1332. best regards, Tobias On 30 Apr 2014, at 14:01, Faisal Tarique <faisaltari...@gmail.com> wrote: > 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 >
