Dear all,
I found that the "Mean B value (OVERALL, A**2)" reported by refmac5 in the
head region of pdb file is 62.76. However, I calculated the average B value
of all B factors from all atoms and the result is 67.7. What makes the
difference? The canonical restrained refinement mode was used in r
The arithmetic mean B value from the structure as quoted everywhere is
pretty meaningless anyway and 10 Ang.^2 either way is probably not
significant. Let's say some waters or LYS side-chains or whatever have B =
1000 Ang.^2. That will bias the mean B upwards, but those atoms do not
contribute sign
Dear all
Thanks for all the input. I will definitely try out in the coming couple of
days. To provide more information:
- the data was checked in Xtriage and no major pathology was found.
Completeness was 99.2% with multiplicity of >13. Mean I/sigma(I) 18.8,
CC1/2 for outer shell 0.902.
- After on
Hmmm - r 50% rather suspect..
do the MR solutions from phaser and molten agree?
Eleanor
On Mon, 6 Nov 2023 at 05:10, Sam Tang wrote:
> Dear all
>
> Thanks for all the input. I will definitely try out in the coming couple
> of days. To provide more information:
> - the data was checked in Xtriage
Are there some atoms with occupancies < 1.0 ?
You would need to weight those Bs by occ
On Sun, 5 Nov 2023 at 11:34, Ian Tickle wrote:
> The arithmetic mean B value from the structure as quoted everywhere is
> pretty meaningless anyway and 10 Ang.^2 either way is probably not
> significant. Let's
