Hi, 2HR0???? I would stay far away from that one! It is a made up model, not based on any real data. Unfortunately, for reasons unclear to me, this structure has still not been retracted from the PDB. This B factor could just be a figment of the senior authors imagination....
https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind0912&L=CCP4BB&D=0&P=88327 Regards, Michael On Fri, Dec 14, 2012 at 3:34 AM, Eric Williams <[email protected]>wrote: > Please pardon me if this is a dumb question with an obvious answer... > > I'm parsing SFCheck's plain text output as part of my dissertation, and > I'm having trouble identifying one of the values. There are three overall > B-factor values reported, one based on the Patterson origin peak, one based > on the Wilson plot, and one that remains a mystery to me. Here's the > relevant line (from 2HR0) with some lines before and after for context: > > R_stand(I) = <sig(I)>/<I> : 0.397 > Number of acceptable reflections: 194123 > for resolution : 45.33 - 2.26 > Optical Resolution: 1.80 > Boveral,Effres,Padd: 40.751 2.032 777.887 > Expected Optical Resolution for complete data set: 1.80 > / Optical resolution - expected minimal distance between > two resolved peaks in the electron density map./ > Resmax_used(opt): 2.26 > > The mystery value is Boveral. I've found no explanation for it in either > the SFCheck manual or the original journal article. Perhaps I'm missing > something obvious, but someone would really make my day if they could point > me in the right direction. Thanks! :) > > Eric >
