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Dear Maggie,
in addition to what others explained, data integration does not depend
on the space group. It only depends on the Laue group, and P21212 and
P212121 belong to the same Laue group. You would see no difference at
all in reprocessing, and in this case Ian's suggestion is sufficient.
When I am not sure whether or not changing the space group make any
real difference to the data I like using pointless to set it right, or
even run phaser if I do have a PDB-file.
Cheers,
Tim
On 11/06/2013 07:13 PM, MAGGIE wrote:
> Hi,
>
> I have a structure which should have space group P212121, but it
> has been processed to P21212. It can not be solved and refined.
> Right now I do not have HKL2000, but I need change the space group
> to P212121. Is there a way for me to do this using CCP4?
>
> Thank you,
>
> Maggie
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
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