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?
>>
>
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