It is just a reporting blip - REFMAC uses the Symmetry stored in your
mtz header ( ie that for P 2 21 21) and will function quite properly..
Other software may be fussier - you can reindex your data as k,l,h which
will change the space group to
P 21 21 2, and use pdbset to generate a model with coordinates y,z,x and
the new cell.
pdbset xyzin p22121.pdb xyzout p21212.pdb
cell b c a 90 90 90
symgen y,z,x
end
Eleanor
Adriana Miele wrote:
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Dear crystallographers,
my protein seems to have crystallised in P2 21 21 space group,
according to all the statistics and also thanks to phaser which
discriminated between P21 21 2 and P2 21 21.
When I tried to run a rigid body on the MR solution, Refmac converged
but kept on saying
===> Warning: No such space group in ASYLIM.
The maps are reasonably good (resolution 2.3Å, R=0.33, RFree=0.37)
and I am tracing the protein (the model was a poly-ALA), but can I
trust Refmac statistics if it does not know against which sg is
refining the solution?
thanks for you help!
Adriana
------------------------------------------------------------------------
------------------------------
Adriana E. Miele, Ph.D.
Dipartimento di Scienze Biochimiche
Universita' degli Studi di Roma "La Sapienza"
P.le A. Moro 5
00185 Roma
tel.: +3906 49910713
fax: +3906 4440062
eMail: [EMAIL PROTECTED]
begin:vcard
fn:Eleanor Dodson
n:Dodson;Eleanor
email;internet:[EMAIL PROTECTED]
tel;work:+44 (0) 1904 328259
tel;fax:+44 (0) 1904 328266
tel;home:+44 (0) 1904 424449
version:2.1
end:vcard
