[phenixbb] anomalous difference map calculation

[Ashok Nayak]

Hello Alexandra,                                     
I believe you have to reprocess the data keeping friedel pairs (f+ and f- ) separate to make use of the little most anomalous signal (if any) at your collected wavelength. The best thing would be to collect a high redundant set of peak data (if not all the three data sets including mad remote and inflection data) If you have access to a tunable source and xtals left. Once you process differently, you can do all sorts of substructure search and later refine anomalous scatterers using wavelength, atom type and f ' and f“ values. Sulphur sad is also a good possibility if you have a decent nmbr of sulphurs in your protein.

Hope this suffices your query.

Regards
Ashok Nayak
CSIR CDRI,
Lucknow, India

Alexandra Marques <at.marques at fct.unl.pt> wrote:

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