Re: [ccp4bb]: f'' and group refinement in CNS

[Ricardo Aparicio <aparicio@lnls.br>]

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I am sorry, in the subject of the message I said CNS but not in its body
text.
I am trying CNS for search and refinement of heavy atom sites and I am sorry
this is not a CCP4 related question too.

Ricardo



"Eleanor J. Dodson" wrote:

> Ricardo Aparicio wrote:
> >
> > ***  For details on how to be removed from this list visit the  ***
> > ***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***
> >
> > Dear all:
> >
> >     I am trying to get phases for a protein crystallized with CdCl2
> > (0.2M). I am searching for HA sites on an Eu(NO3)3 derivative by SAD.
> > Because the crystal contains Cd in adition to the Eu used in soaking, I
> > have found some rigid arranges that appears to be Cd-Eu-Cd (the
> > distances between Cd-Eu are ~2.6A, so I think they are not satelite
> > peaks).
> >     I have 2 questions:
> >
> > 1) how can I set f' and f'' values for Eu and Cd  in the same
> > sad_phase.inp file? Do I need to do this (.sdb file already contains
> > information about the site type)? Another point is that the logfile
> > shows 0 for f' and a strange value for f'' (they are not being refined).
> >
> > 2) Is it a good idea to refine this "arrange" as a group ?
> >
> >     Thank you very much in advance. Any help would be very appreciated.
> >
> > Ricardo
> >
> > ===========================================================
> > Ricardo Aparicio
> > PhD Student at the Brazilian Synchrotron LNLS - http://www.lnls.br
> > Protein Crystallography Group
> > Phone +55(19)2874520 / Fax +55(19)2874632
>
>  You dont say what software you are using?
>  Eleanor
> --
> ------------------------------------------------------------------
> Eleanor J.Dodson, Chemistry Department, University of York, U.K.
> Tel: Home +44 (1904) 42 44 49, work:  +44 (1904) 43 25 65
> ------------------------------------------------------------------

--
===========================================================
Ricardo Aparicio
PhD Student at the Brazilian Synchrotron LNLS - http://www.lnls.br
Protein Crystallography Group
Phone +55(19)2874520 / Fax +55(19)2874632