[phenixbb] SAD + Xray = ???

[Nathaniel Echols]

On Mar 2, 2010, at 3:27 PM, J. Fleming wrote:
>   I have a set of Se-Met SAD data, high resolution x-ray data, and a protein sequence.  Is there a way to combine these data sets in Phenix and carry out an autobuild?  I saw a section in the manual about MRSAD but that requires a starting model.   I've used the SAD data alone to generate a model but I'd like to use both data sets together.


If they're isomorphous, yes, refer to the AutoBuild documentation:

http://www.phenix-online.org/version_docs/dev-328/autobuild.htm#anch161

"Merge in hires data

phenix.autobuild data=solve_2.mtz hires_file=w1.sca  seq_file=seq.dat

The high-resolution data in w1.sca will be used for FP and SIGFP. Other information from solve_2.mtz (PHIB FOM HLA HLB HLC HLD) will be kept."

(And when running phenix.refine, you can also use the HL coefficients for experimental phase restraints.)

-------------------
Nathaniel Echols
Lawrence Berkeley Lab
510-486-5136
NEchols at lbl.gov