I very much agree - refinement will tell you if the high-res data make
sense. Another very good test is the Wilson plot - it should look
straight and reasonable. Inflated I/sigI values will not escape a
strange appearance such as the WIlson plot flattening out at higher
resolution. I normally find a very good consistency between the
resolution cut-offs indicated by the wilson plot and the refinement
statistics.
Poul
On 22/04/2010, at 19.59, Edward A. Berry wrote:
There are plenty of structures in the database with R-sym=0.99.
But something is odd here. If I understand R-pim, it should
always be bigger than Rsym, because this factor of sqrt(N/(N-1)) is
always >1
Are you saying Rpim is .30 and Rsym is 1.00?
Last time I deposited a structure, Rsym and Rmerge in the last shell
are optional.
I would leave it out and rely on the excellent I/sigI in the last
shell,
and use all the data (provided after refinement R-free in the last
shell is < .4).
Ed
Daniel Bonsor wrote:
Hello again.
At first I was not worry but maybe now I am. I have completed a
structure and submitted to the PDB. They queried my Rsym value in
the highest resolution bin, 2.5-2.37A (may I dare say it 100%). I
was not worried at the time as I had:
99.4% completeness
Mean(I/sdI) of 2.5
and a redundancy of 11 (which would explain the high Rsym)
Space group I422
My Rpim in this shell is 30%.
Should I reduce the resolution and start from scratch again or is
everything fine and dandy and I should stop worrying?
