You can try zanuda from York's  site. 

www.ysbl.york.ac.uk/YSBLPrograms/index.jsp

It may help. It may be that you have a twinned crystal. As far as I know best 
available test for twinning is L-test (truncate produces this test). When you 
go from P1 to P212121 if L-test shows increased twinning then it may mean that 
you are overmerging.


regards and I hope it helps

Garib


On 19 Jan 2012, at 12:06, 조기준 wrote:

> Dear all,
>  
> I have a data, and it has R/Rfree problem.
> The data could be processed as P212121 and P1.
> The resolution was 2.9, and unit cell parameters were a=73.527, b=90.035, 
> c=237.980, α=β=μ=90 and a=73.709, b=90.099, c=238.172, α=89.939, β=89.945, 
> μ=89.993 for P212121 and P1, respectively.
> R/Rfree was 22.3/29.4 for P1 after several refinements.
> However, I couldn’t decrease R/Rfree below 30.0/37.6 for P212121.
> There were almost no differences on monomer structure and crystal packing 
> between P212121 and P1 after MR, and the electron densities followed trace of 
> peptide chain well.
> Can anybody suggest me about this problem?
>  
> Thank you.
> Ki Joon Cho
>  
>  

Garib N Murshudov 
Structural Studies Division
MRC Laboratory of Molecular Biology
Hills Road 
Cambridge 
CB2 0QH UK
Email: ga...@mrc-lmb.cam.ac.uk 
Web http://www.mrc-lmb.cam.ac.uk



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