Re: [ccp4bb]: merohedral twinning or pseudo-symmetry?

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

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what are cell dimensions?
eleanor

Rainbow wrote:
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> Dear all,
> 
> For my crystal, DENZO give the space group P212121. However, although I have tried my best, the R (and Rfree) given by the MR solution and the following refinement are too high. There are many things in the whole structure solving procedure I should oppugn, but first of all I suspect that there may be something wrong with my diffraction data. Is it possible that P212121 is not the real/true space group due to merohedral twinning or pseudo-symmetry? Could anybody tell me how to get the answer about this? 
> 
> Some details of the data:
> space group: P212121
> diffraction resolution: 2 angstrom 
> I/¦Ò£¨total/outmost£©: 23.5 / 6.1
> Rmerge£¨total / outmost£©: 0.056 / 0.129
> completeness (total / outmost): 95.1% / 88.9 %
> mol/ASU: 1
> Reflections(total/ independent): 108,487/12,583
> 
> 
> Thank you!
> ¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡Rainbow Yun
> ¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡superyunch@moon.ibp.ac.cn
> ¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡2003-03-22
> 
>