Dear Anita,
Selenomethionine should be named MSE. The residue
will show as HETATM, rather than ATOM, and MSE should be
used consistently (SEQRES, HELIX, etc.) for the appropriate
residues.
I do not know what various software packages do with
MSE but it occurs frequently so I would be surprised if
they cannot cope.
Hope this helps.
Frances
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On Tue, 14 Oct 2008, Anita Lewit-Bentley wrote:
> Dear all,
>
> This question may have been asked before, but I cannot find an answer in the
> recent ccp4bb archives - sorry!
>
> I am using an SeMet-protein data set as my native protein, since it
> diffracted to high resolution and should give all the information I need. I
> would therefore like to introduce the Se atom within the Met residue, so as
> to provide a correct description of the molecule.
>
> What format/syntax should I use for Refmac to recognise it? SED (with SE in
> he last column) does not work, nor does just simple SE left-shifted.
>
> Thanks for any hint!
>
> Anita
>
>
> Anita Lewit-Bentley
> Unité d'Immunologie Structurale
> CNRS URA 2185
> Département de Biologie Structurale & Chimie
> Institut Pasteur
> 25 rue du Dr. Roux
> 75724 Paris cedex 15
> FRANCE
>
> Tel: 33- (0)1 45 68 88 95
> FAX: 33-(0)1 40 61 30 74
> email: [log in to unmask]
>
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