[phenixbb] Advice about phasing procedure and phase extension in AutoSol-AutoBuild

Schubert, Carsten [PRDUS] CSCHUBER at prdus.jnj.com
Thu Nov 8 08:14:20 PST 2007


I am trying to bootstrap my way into a couple of weak derivatives using a combination of Solve and the AutoSol and AutoBuild wizards.
I have probably one or two fairly weak diffracting derivatives (~3A) with low FOMs (~0.3) from Solve, the native extend to ~2.A.

I have a couple of questions about how to best proceed with the phasing procedure using either the wizards or a Solve/Resolve combination.

1. can I input known HA-positions into the AutoSol wizard to help Hyss find other positions? Does Hyss actually eliminate bogus sites? Solve seems to refine bogus sites to occupancies ~0.1-0.5 but with a B-factor of one, but does not toss them. How does Hyss handle this situation?
2. What is the best way to handle phase extension in the Wizards, how would one go about this? I would like to fine-tune the resolution steps myself as not to jump to far out to higher resolution.
3. What quality indicators should I look at? A couple of FOMs in the resolve runs were in the region of 0.7, but the maps were not interpretable and resolve failed to build anything. Anything else I should look at?


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