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
Unit? d'Immunologie Structurale
CNRS URA 2185
D?partement 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: [EMAIL PROTECTED]
