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Re: [ccp4bb]: orthorhombic twinning
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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:
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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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