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
Srf.pdf
Description: Adobe PDF document
