As always, look at the crystal packing of the MR
solutions. That is a quick way to reject incorrect space group
solutions. I never realized Phaser had the issue you described with the
SGALTERNATIVE setting, but to be honest, I've always run it in "manual"
mode, i.e., I set up separate jobs in
On Sun, Oct 3, 2010 at 6:34 PM, J. Preben Morth pr...@bioxray.au.dk wrote:
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
Hi, re-indexing the data without also remembering to transform the
Is that necessary?
Eleanor
J. Preben Morth wrote:
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 reindexing have no effect on the R-factor, I did indeed mean to remember to
transform the co-ordiantes according to the indexing :-)
On 04/10/2010, at 11.27, Ian Tickle wrote:
On Sun, Oct 3, 2010 at 6:34 PM, J. Preben Morth pr...@bioxray.au.dk wrote:
hi
remember to reindex your data to
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
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
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
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
Hi all,
I have collected a data at 2.9 Å and the solved the structure using phaser .
the space group comes to be P2 21 21. There are 4 molecules in Assymetric unit
and an octamer is generated according to the symmetry. But after repeated
rounds of rigid body refinement with REFMAC5 and model
