Dear Careina,
if 0.43 is the twin fraction, you might not be able to detwin your data,
since the twin fraction is very close to 0.5. If you plan to solve your
structure with molecular replacement, I would just run the molecular
replacement with the twinned data and refine the structure with Refmac
using the twin mode. Twinned electron density maps can look much better
than you may expect, since the unmodeled twin molecule does not
contribute to the phases and will "only" generate some noise. If plan to
apply de novo phasing, that will be another story....
Best regards,
Herman
________________________________
From: CCP4 bulletin board [mailto:[email protected]] On
Behalf Of Careina Edgooms
Sent: Monday, December 10, 2012 10:27 AM
To: [email protected]
Subject: [ccp4bb] Detwin
Dear CCP4
I have data that is twinned with an L statistic of 0.43. It
seems all the crystals that I produced were twinned sadly. Is there
anything I can do to twinned data to make it easier to analyse?
I have tried to use the detwin software but it won't let me
input a twinning operator for a standard transformation. I am not sure
why? My space group is P21.
Thanks for your help
Careina
