Hi Vijay, it could be pseudo-merohedral twinning of C2. In that case, any of the three axes could be the unique one, so you must test all three possible settings. Hopefully, reginement works well in one of these.
Best wishes, Kay On Thu, 29 Nov 2018 14:58:52 +0000, Vijay Jayaraman <bkvijay.jayara...@gmail.com> wrote: >Hi all, >The data that we collected recently is in space group C 2 2 21 and appears to >be twinned. I could not find a twin law which I can use to detwin the data. >The R and R free doesn't drop below 0.4 even after multiple rounds of manual >and automated refinement. I have also attached the self-rotation function >output as a pdf file here. Kindly suggest a solution. Useful details are here: > >Space group C 2 2 21 >Unit cell: 92.24 148.78 206.60 90.00 90.00 90.00 >Maximum resolution: 2.6 Angstrom > >This is the warning message from the AIMLESS log file: > >"WARNING: the L-test suggests that the data may be twinned, > so the indicated Laue symmetry may be too high > Rough estimated twin fraction alpha from cumulative N(|L|) plot 0.151 > +/-(0.020) > Rough estimated twin fraction alpha from 0.141 > Rough estimated twin fraction alpha from 0.128" > >Thanks. > > >######################################################################## > >To unsubscribe from the CCP4BB list, click the following link: >https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
