[sharp-discuss] Is there a parameter that estimates/refines the error in the input experimental phases?
Francis E Reyes
Francis.Reyes at Colorado.EDU
Wed Apr 20 17:46:23 CEST 2011
Hi Sharpers,
The current phasing problem consists of a molecular replacement
solution that is sufficient to locate the position of the anomalous
scatterers using the anomalous signal alone (mostly anomalous
difference fourier, not so much in the anom LLG when using the MR
model as input phases). The issue is that the MR solution is 50%
incomplete (the fold is very well preserved which I imagine is
providing most of the phasing power). From the PDB I calculate the
phases to create PHI/FOM/HLA/HLB/HLC/HLD . Of course these calculated
phases are heavily biased towards the MR solution. I input these
phases into SHARP as input experimental phases. Is there a parameter
which will refine for the error in the experimental phases (especially
when it comes from a highly incomplete MR solution) ?
Other options: I could mess with the atomic b-factors / scaling prior
to conversion of the model to HL's? But still, I wonder if SHARP could
scale down the MR-biased experimental phases during the ML refinement.
F
---------------------------------------------
Francis E. Reyes M.Sc.
215 UCB
University of Colorado at Boulder
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