Just be careful when drawing conclusions from B-factors. If you
look at the mathematical way that a B-factor modifies a structure factor,
you can see that as a B-factor's numerical value increases, the
corresponding structure factor's contribution to a calculated diffraction
pattern is reduced. I
On Thursday, 09 August 2018 10:45:07 Pavel Afonine wrote:
> > I (personally) think the best answer from these was to look at the
> > TLS-subtracted residuals (ie. total B-factor - TLS component) — can’t
> > remember who sent it, off the top of my head.
> >
>
> TLS is just an approximation, sometim
> I (personally) think the best answer from these was to look at the
> TLS-subtracted residuals (ie. total B-factor - TLS component) — can’t
> remember who sent it, off the top of my head.
>
TLS is just an approximation, sometimes good and sometimes not. If TLS
parameters are refined along with in
Hi,
A quick search of the CCP4BB archive reveals a couple of previous conversations
on this topic. I’ll link them here to save repetition — reading through should
give you a pretty good idea:
https://www.mail-archive.com/ccp4bb@jiscmail.ac.uk/msg42526.html
https://www.mail-archive.com/ccp4bb@ji
I wouldnt have thought so.
There is a B factor plot as part of CCP4I2 - does that show any pattern of
differences between ligand and environ,ment?
Eleanor
On 9 August 2018 at 10:54, Santhosh Gatreddy
wrote:
> Hi all,
>
> I have to compare the B-factors of three of my ligand bound structures of
