Another plug (with a PEG list, Table 4 Figure 5): http://journals.iucr.org/d/issues/2016/12/00/rr5136/index.html
Best, BR -----Original Message----- From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> On Behalf Of Robbie Joosten Sent: Thursday, July 19, 2018 3:10 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] unidentified electron density Hi Harsh, Just try a slightly longer PEG molecule: PGE (in PDB nomenclature). That's the version with 3 glycol units. Others are (in order of increasing size) PG4, 1PE, P6G, P33, PE8, 2PE, XPE, 12P, 33O, and P3E. This list comes from a paper that shows that PEG can go to all sorts of nasty sites: https://onlinelibrary.wiley.com/doi/full/10.1002/pro.2923 (yes, that is a bit of a plug). Cheers, Robbie > -----Original Message----- > From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of > Harsh Bansia > Sent: Thursday, July 19, 2018 09:06 > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] unidentified electron density > > Dear All > > I am refining a 1.63 Angstrom data set for a methyltransferase for > which methyl-accepting substrate is not known. I came across a density > in the putative substrate binding site in which i have modeled a PEG > molecule as shown in attached screen shots. The crystallization > condition includes MgCl2, Tris-HCL and PEG3350. > The current Rwork/Rfree is 15.2/18.6. The average B-factor of fitted > PEG molecule is 40 while that of surrounding residues is 20. > > > Any suggestions regarding interpretation of this density would be much > appreciated. > > > Thank you > > Regards > Harsh > > > ________________________________ > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
