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
>

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