A very likely possibility (but there may be others) is merohedral
twinning, which can and often does occur in this space group, and these
are typical R-values you would get stuck to in case of partial
merohedral twinning. Checking the log file of truncate should be
informative in this respect.
Also: there cannot be three molecules in the unit cell as this space
group has six asymmetric units. You probably mean three molecules in the
asymmetric unit. Since crystallography is an exact science, one needs to
be correct.
Remy Loris
Vrije Universiteit Brussel
On 15/02/13 21:35, Muhammed bashir Khan wrote:
Dear All
I have a data at 2.75A. I process it in Space group P3121, using HKL3000.
Run a molrep,find three molecule in a unit cell. I am trying to refine it
with phenix, the R and R-free stuck at 34 and 41 respectively.
Crystal: The crystal seems multiple thin plates and I tried to freeze the
possible single crystal (plate).
Any suggestion would be highly appreciated!!
Bashir
Muhammad Bashir Khan
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Structural Genome Consortium (SGC) University of Toronto
Canada
