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hi
remember to reindex your data to P21212 in case you used Phaser to search all
alternative orthorhombic SG's and it found P22121
Preben
On 03/10/2010, at 04.56, Jack Russel wrote:
> Hi all,
>
> I have collected a data at 2.9 Å and the solved the structure using phaser .
> the space group c
1) Rigid body refinement wont reduce R factors much more than this -
start restrained refinement with NC restraints..
2) And yes - at low resolution you could expect a large difference
between R and rfree
3) With such high NC symmetry is there any possibility of another SG?
Eleanor
Jack Rus
Suggestions:
Are you using the GUI - that gives you a molrep option to provide a
fixed model..
Re Amore - yes you can do this - run first pass as autoamore which
should find one monomer,
the keep on redoing the TRAN fun providing the solution to 1st, 1st+2nd,
etc as "known solution" - all do
A handy way to do what Paul suggests is the Zanuda server at York
which will try refinement in all lower symmetries ...
From the first email though two things are unclear:
1. How good was the Phaser solution (eg z-score?) ?
2. Did you only try rigid body fitting as you wrote? (I find regid
b
Try a lower symmetry, e.g. P21 or P1 with one or two octamers in the asymmetric
unit (well, unit cell for P1), but you already know your packing so no problem
solving it.
It can sometimes be very subtle and your model refinement will be the most
sensitive test for the correct space group - so do
