datablock.json sigma_background=6 sigma_strong=3
Good luck,
Selina
From: CCP4 bulletin board on behalf of Almudena Ponce
Salvatierra
Reply-To: Almudena Ponce Salvatierra
Date: Friday, 19 April 2019 at 19:12
To: ccp4bb
Subject: [ccp4bb] pointless warning - space group ambiguity
Dear Almudena,
Am 20.04.19 um 14:52 schrieb Almudena Ponce Salvatierra:
> Dear Kay,
>
> Thank you very much for your reply. It prints an error message, a couple of
> them, return code = ier 0, or that there was an insufficient number of
> reflections for indexing/ refinement did not converge.
Dear Kay,
Thank you very much for your reply. It prints an error message, a couple of
them, return code = ier 0, or that there was an insufficient number of
reflections for indexing/ refinement did not converge.
Is it possible that due to the pseudocentering, the indexing is proceeding
in such a
Hi Diana,
I have two datasets, one with anomalous signal from Bromine (weak), and one
native where the resolution extends up to 3.5 Angstroms. Thus, I've tried
both SAD and MR. I have to say that for the MR I am pretty confident about
the model that I am using. I am sure this has to do with the in
Dear Almudena,
what do you mean with "XDS get stalled"? Does it print an error message, and if
so, which?
Your description makes me think that you may want to try space group 23 (I222)
or 24 (I212121) since Pointless says it may be I-centered. In XDS.INP, you just
enter
SPACE_GROUP_NUMBER=23
Can you attach the pointlesslog and maybe also aimless & ctruncate logs?
ctruncate will check for any non-translational vector..
But missing I cemntring shouldnt stop you solving the structure? If it is
real you would hope to find two solutions seperated by 1/2, 1/2, 1/2.
Eleanor
On Fri, 19 Apr
You didn’t tell us what method and computer programs you are using for phasing.
If you are using Molecular Replacement and not getting a solution, it could be
that your model isn’t close enough to the actual solution.
Diana
**
Diana R. Tomchick
Pr
Dear all,
I'm processing my data with XDS and with DIALS and at first sight it
would seem reasonable to assume that the Laue group is
either orthorrombic or monoclinic. Autoprocessing brings me always to
P212121, but I have tried also to solve the
structure in space groups 1, 3, 4, 16, 17 and 18,
