Could it be MPD (2-methyl-2,4-pentanediol)?
Cheers,
Charlie
Junyu Xiao wrote:
> Dear all,
>
> I am at the late stage of refining a 1.97 A structure. There is something
> in the ligand binding pocket, and I am not sure what it is exactly. Since
> this protein can potentially generate pyrophosphate from ATP, and I have
> ATP in the protein solution, so I tried to fit in a pyrophosphate. The
> Rwork/Rfree after refinement are 0.198/0.243. Below is the refined map. The
> 2fofc map looks ok (contoured at 1 sigma), however, there is always some
> red density around the pyrophosphate in the fofc map (contoured at 3
> sigma). I have also tried to fit in the density as two free phosphates, and
> the results are worse. Can I get some advices on this? Any suggestion will
> be greatly appreciated.
>
> Best regards,
> Junyu
--
Charlie Bond
Professorial Fellow
University of Western Australia
School of Biomedical, Biomolecular and Chemical Sciences
M310
35 Stirling Highway
Crawley WA 6009
Australia
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