Hi Feng,
If your native and selenomet data are isomorphous, I would use your native
data, your selenomet data and your (partially correct) MR solution and
your heavy atoms altogether in refmac. At the moment, the refmac gui does
not support SIRAS refinement, but you can do it via script - Pav
Hi Stacy,
If you give the CCP4 program crank a try, I can give you advice, if
needed. It can work with SAD data.
Best wishes,
Raj
On Thu, 8 Dec 2011, stacy William wrote:
Dear All...I am new user for Phenix. I am right now working with SAD data. I
had run Ausol in GUI interface with my SAD
I am concerned about one basic problem about using sigmaa to judge the
quality of the data and, in particular, data cut-offs: sigmaa depends on
a model! judging data quality by using a model that we derived from is
worrying.
sigmaa is by definition the correlation between the (unknown) true
st
Hi Kenneth,
I think the FOM reported by BP3 is a good indication of the quality of a
solution: the FOM is an estimate of the mean cosine of the phase error.
BP3 does not work with calculated anomalous differences with SAD data, but
uses the observed and calculated F+ and F-: thus, an R-cullis
If possible refine restraining to the native structure (I only did this a long
time ago with TNT with a script Jan Pieter Abrahams wrote, I don't know if
refmac has this possibility).
Prosmart generates restraints for use in refmac:
http://www.ysbl.york.ac.uk/mxstat/Rob/index.html
It worked
You can use Refmac to take your SAD information (F+ and F-), heavy atom
and MR model directly and refine both your Se sites and your MR model
simultaneously. This function in Refmac has been around for 'more years'
and is what has been re-implemented in a mathematically equivalent form in
Phas
structure, and refined simultaneously, the phase information is combined
naturally, without having to export part of
the information through Hendrickson-Lattman coefficients.
I am very happy to see that phenix and phaser have adopted and are
promoting using the SAD function. Although, I
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