I am asked to test ZANADU which is meant to sort out spacegroup anomalies!
Maybe your example can be the test case..
Eleanor
On Fri, 24 Mar 2023 at 14:21, Gianluca Cioci wrote:
> Hi Eleanor, Hi All,
>
> As suggested by Andrew (thanks!), I've switched off the NCS in Phaser and
> this gave a solut
Hi Eleanor, Hi All,
As suggested by Andrew (thanks!), I've switched off the NCS in Phaser
and this gave a solution in C2 (a=66.2 b=83.9 c=66.2 90 98.7 90)
that refines much better than the others (R=0.32/0.39).
Still, I am not 100% convinced this is the correct cell/spacegroup...
but it'
You have tried all spacegroups within point groups? P2 p21 c222 c2221?.
On Wed, 22 Mar 2023 at 03:01, Lijun Liu wrote:
> If data processing to be ok and all possible monoclinic and orthorombic SG
> gave unreasonable high Rs, maybe good to give a try with p1 space group?
> Since
> the p-lattice
If data processing to be ok and all possible monoclinic and orthorombic SG gave unreasonable high Rs, maybe good to give a try with p1 space group? Since the p-lattice indexing gave same a and b also very close alpha and beta, it could not exclude the possibility of p1 then twinned (also together
cell 66.3 66.3 83.9 90.2 90.1 98.7. P2 or P21 cell
Cell volume:364551.812
Data line--- cell 86.4 100.6 83.9 90.0 90.2 90.0. Cell volume double
- C2 or C222 or C2221 cell
Cell volume:729240.938. ie
How many residues in your model?
It is hard to decide much without
Hi Gianluca,
Have you checked for diffraction anisotropy problems? It might be worth
running it through the STARANISO webserver:
https://staraniso.globalphasing.org/cgi-bin/staraniso.cgi. Anisotropy can
make your data look twinned and elliptical truncation can help improve
maps.
Good luck!
Best,
Hello, can you give us a screenshot of a diffraction image, with the caveat
that they never look all that good with fine-slicing, still it might help ;-0
Also, an idea of the R-merge, R-meas, CC-half in some of those space groups.
Best wishes, Jon Cooper. jon.b.coo...@protonmail.com
Sent from P
Dear All,
I have collected a dataset from a small protein diffracting at 2.7A
resolution, here is the space-group determination from XDS:
* 44 aP 0.0 66.3 66.3 83.9 90.2 90.1 98.7
* 31 aP 1.2 66.3 66.3 83.9 89.8 90.1 81.3
* 14
