Re: [ccp4bb]: orthorhombic twinning.....

[Daniele de Sanctis <daniele@ge.infm.it>]

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.....and I thought of the possibilities it was twinned because more than
one datasets were impossible to be phased (both SAD and MAD
experiments)...bye




"F.Xavier Gomis-Rüth" wrote:
> 
> Caro Daniele,
> just that two axes are very close to each other (even identical) does
> not necessarily mean that
> something is wrong. We just had a case that was exactly the same: two
> cell parameters were
> (almost ? probably certainly ?) equal, so you could index the data with
> P4. However, when
> scaling, something was clearly weird: scala threw away too much data and
> the Rmerge, despite
> not being really bad, was suspicious.
> When indexing, integrating and scaling as orthorhmobic (it finally
> resulted in being, as in your
> case, precisly P212121) everything went fine.
> Something different is if your molecule doesn´t fit into a P212121 cell...
> Could you give more infos ?
> Sorte !
> Xavier
> 
> daniele@ge.infm.it wrote:
> 
> >***  For details on how to be removed from this list visit the  ***
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> >
> >
> >
> >dear all,
> >i have a crystal with orthorhombic space group (P212121) with two cell
> >dimensions lenght very similar, so i think that the crystal is twinned.
> >So, what can i do now? is there a software to detwin my data also in this
> >particular case?  There something else that i should try (except to search
> >for different crystallization conditions?)?  thank you
> >
> >
> >daniele
> >
> >
> >
> >
> >
> >
> 
> --
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-- 


Dr Daniele de Sanctis, PhD student      

                   Homo sum humani nil alienum a me puto

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