[phenixbb] Autosol: MIRAS

[ash.k at aol.com]

Hi all,



I am tryingto solve a structure through experimental phasing using AUTOSOL. I have acouple of heavy atom derivative datasets (Hg, La, Eu, Cd) and also a SeMetdata. Unfortunately all the datasets are of low resolution (3.7-4.2A) and thereare possibly 4-8 molecules in the asu. MIR, SAD and MAD  alone did not give any convincing solution.  



However,MIRAS, with a combination of few heavy atom datasets and the anomalous datafrom SeMet crystals, gave a somewhat satisfactory map. But the heavy atom sitepicked by AUTOSOL list only one of the heavy atoms i.e. Lanthanum. In another set of run, the solution of which was not convincing, the heavy atom substructure had only Hg. There are 6Met out of 200 residues in one molecule and mass spec results show that Seincorporation is 100%. 



Now, mydoubt is that why does the heavy atom substructure contain only La and how canI get the substructure involving Se from this solution (or the datasets used)?  Se location is going to help me a lot forfinding a starting point to assign side chains. 


Anysuggestion would be greatly appreciated.
 
Thanks
AK 
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