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 [email protected] +61 8 6488 4406
