Dear all I have a dataset processed to 2.2 A, P212121, with no major issues identified by Xtriage (no tNCS, no twinning, no ice ring, good completeness). Phaser-MR gave a good solution except some loop regions are shifted. There is only 1 molecule in the ASU (and seemingly no more molecule can be accommodated). I fitted the displaced loops, and confirmed the space group by Zanuda, but the R-factors stuck at 0.34/0.41 range. What other aspects should I look into? Twin-refinement? (I am a bit reluctant to do so because neither Xtriage nor Pointless report it is twinned) I should also point out that the crystal was grown with its ligand but I cannot see good density for it.
BRs Sam ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/