[phenixbb] SAD + MR

[Tom Terwilliger]

Hi Lucas,

Yes, here is one thing you can do:  (#1 will be 
by hand for the version that you have unfortunately):

1. Use the MR solution to calculate phases; get 
an anomalous difference Fourier, and pick the top 
peaks as your heavy-atom sites.
2. Read in the anomalous data and sites to AutoSol and get experimental phases.
3. Read in the experimental phases and the MR 
model to AutoBuild, with rebuild_in_place=False 
(build model from scratch) and 
include_input_model=True (default) and let it try 
to density modify and continue on with model 
rebuilding starting from the 25% model.

Good luck!
-Tom T

At 08:13 AM 6/16/2007, Lucas Bleicher wrote:
>I have a dataset from a Cs-soaked crystal, and the
>protein has a domain solved in the PDB. The problem is
>that the map obtained just with the experimental
>phasing is not so easily interpreted, and the domain
>is just about 25% of the whole protein. Inspection of
>the map generated by MR suggests that it's a good
>solution, with residues fitting reasonably well on the
>density.
>
>Given the new features on Phaser 2.0, which I suppose
>is included in Phenix 1.3b, can anyone suggest a
>protocol to profit from both things (anomalous
>scattering + good search model)?
>
>Thanks in advance,
>Lucas
>
>
>
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Thomas C. Terwilliger
Mail Stop M888
Los Alamos National Laboratory
Los Alamos, NM 87545

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