Hi Sam, some time ago I had a similar issue: refinement for a soaked crystal stuck at 0.36/0.41 and there was no ligand density. I tried to reprocess my dataset using different start/end frames and one of the processing runs gave me a unit cell with a doubled axis a. Refinement against this dataset converged at 0.18/0.22 and I found weak density for ligand.
Hope it will help. Regards, Evgenii пт, 2 апр. 2021 г. в 11:18, Sam Tang <samtys0...@gmail.com>: > Dear all > > Thanks a lot for the numerous input. Will try the different strategies and > get back again soon. > > BRs > > Sam > > > On Thu, 1 Apr 2021 at 20:28, Sam Tang <samtys0...@gmail.com> wrote: > >> 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 > -- Evgenii Osipov Laboratory for Biocrystallography, Department of Pharmaceutical Sciences, KU Leuven O&N2 ######################################################################## 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/
