Try refinement with the newest REFMAC which will take twinning into
account.
But if your integration has missed some spots, or the spots were
streaky you may have more complex problems - with what is termed
Order-disorder in the lattice.
eleanor
Rana Refaey wrote:
Hi all,
I have a few datasets that I think are twinned for several reasons.
1)The Rfree and Rmerge are both stuck very high.
2) The L-test for twinning in Scala shows twinning
3) Also the centric and acentric movements suggest twinning.
4) The spots do not match the predication from Mosflm (Non-merohedral
twinning ?)
The space group is p212121, and am able to solve the structure using MR. But
when its comes to refining the Rfact and Rfree are stuck at high values (for
one of them at a resolution of 1.65 A they are 0.32 and 0.36 respectively )
Any suggestions how i could deal with these datasets ?
Many thanks
Rana
