I have done some more tests with different programs for choosing the R-free
set in shells or at random and the results are at the same link:
https://www.ucl.ac.uk/~rmhajc0/rfreetests.pdf
There still seems to be no significant difference between the normal R-free and
the R-free in shells, with
Does the SAXS model contain more than one subunit? If so, I would be tempted to
go back to the model and try each one separately. This may not apply, but if
there are monomers in the SAXS model that are related by space group symmetry
in the crystal, I think the MR would never work. Good luck
Dear Kevin
You could try reindexing into P1, then run Phaser and with its solution as
input to Zanuda determine the space group.
Best wishes,
John
Emeritus Professor of Chemistry John R Helliwell DSc_Physics
> On 31 May 2019, at 21:09, Kevin Jude wrote:
>
> Hello community, I wonder if
Thanks Diana - Indexing on strong reflections (STRONG_PIXEL=50 in xds) does
identify C222 as a possibility with the same dimensions as the P222 cell.
This doesn't solve my problem, though, since the centering operation just
replaces the tNCS and doesn't relieve the crowding.
Best wishes
Kevin
--
