[sharp-discuss] Sharp phasing incorporating additional MR phases

Stephen.carr at rc-harwell.ac.uk Stephen.carr at rc-harwell.ac.uk
Thu Oct 18 17:47:43 CEST 2012


Dear SHARP experts,

I am currently trying to extract phase information from a weak bromine derivative, electron density maps calculated from SIRAS phases calculated using this derivative are uninterpretable.  I also have a molecular replacement solution from a partial structure.  Anomalous difference maps calculated using the MR phases and the bromine data reveal several strong peaks (6-7 sigma), which I would like to refine etc.  I am trying to read the MR phase information into sharp but with no luck.

I have converted the phases to HL coefficients, and labelled the columns HLA, HLB etc as per the sharp manual, this should then "trigger additional control options to appear at the bottom of the page".  I assume that this is at the bottom of the Global input page of the sharp input?  I am, however, not seeing any additional options when I read in the mtz file containing the HL coefficients.  The mtz file is readable in sharp and the columns are present and recognised by the program as H-L coefficients (column type A).


So I guess I am asking, is this feature still enabled and if so could anyone suggest how I might read this information into SHARP.


Kind regards,


Steve

Dr Stephen Carr
Research Complex at Harwell (RCaH)
Rutherford Appleton Laboratory
Harwell Oxford
Didcot
Oxon OX11 0FA
United Kingdom
Email stephen.carr at rc-harwell.ac.uk
tel 01235 567717
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