Re: [ccp4bb] Wilson B-factors recorded for all PDB's to 3.5Å

2016-10-18 Thread sunanda williams
Polygon in the validation tools of phenix. On Saturday, October 15, 2016, amit sharma < 0d1d6aa5c57b-dmarc-requ...@jiscmail.ac.uk> wrote: > Hi, > > What is the average Wilson B-factor for all single crystal protein > structures deposited in PDB at 3.5Å? Is there any software or a

Re: [ccp4bb] Antw: Re: [ccp4bb] High B factor

2016-10-14 Thread sunanda williams
Quoting Dale from an older post "It's also true that the Wilson B calculation assumes that all the B factors in the crystal are the same - which is also far from the true in most macromolecular crystals. A person who holds to the practice of aggressively building water molecules and loops will

Re: [ccp4bb] High B factor

2016-10-13 Thread sunanda williams
> > wrote: > >>I'm sorry but I don't understand what your problem is. Do you think >> the B factors are too small for a 3A data set? A range of 70 to 75 is a >> little smaller than usual but probably not out of bounds. >> >> Dale Tronrud >> >>

[ccp4bb] High B factor

2016-10-12 Thread sunanda williams
Hi all, I have a structure at 3.0 A and R/Rfree of 24/28. The mean B value is around 98. The B value is especially high at the N terminus and two loop regions (around 120-150 AA). The rest of the structure averaged around 70-75. Has anyone faced such a scenario? How reliable is the structure and