It is very common for a trigonal spacegroup H 32 to masquerade as C 2 2 21
Here is the log file for other cell.
Note that it is possible to reindex it with two cell dimensions equal and a
beta angle of 63 -
And the self rpotation shows a large rotation at 120 degrees
So go back to the data
Unit cell dimensions don’t really matter here. If it’s a centred lattice you
won’t be able to index it correctly in a primitive system even though C222 and
P222 both have a<>b<>c and alpha=beta=gamma=90.
Ditlev
---
Ditlev E. Brodersen
Lektor, Associate Professor
Department of Molecular
Hi Vijyay,
Did you tried with P212121 system?. RCSB has one structure with similar
unitcell and the corresponding pdb code is 3BMA. If you have not tried then
I hope it will solve the problem.
Thanks
damo
On Thu, Nov 29, 2018 at 11:44 AM Vijay Jayaraman <
bkvijay.jayara...@gmail.com> wrote:
>
Hi Vijay,
it could be pseudo-merohedral twinning of C2. In that case, any of the three
axes could be the unique one, so you must test all three possible settings.
Hopefully, reginement works well in one of these.
Best wishes,
Kay
On Thu, 29 Nov 2018 14:58:52 +, Vijay Jayaraman
wrote:
