Dear Tommi,
did you check whether you collected any reflections at all that should
be absent for the second screw axis? If there are non - which could
easily happen with low resolution, incomplete data - pointless and XDS
might be conservative and not estimate the likelihood for the second
screw-a
Hi Tim - There are reflections in all directions and only one clearly has
systematic absenses. Although only few seem to be present in one direction (But
thats the h00 direction here
+ all are present though) -phaser finds with same data P22121 as the strongest
solution (few reflections are weak
Hi all,
I have to compare the B-factors of three of my ligand bound structures of the
same protein which were diffracted to 1.85, 1.98 and 2.01 A resolution.
Is it necessary to normalize the B-factors of these structures (dimer in ASU)
before comparing them to understand the ligand induced stab
Well that is pretty obviously P 2 21 2 - h 0 0 and l 0 0 are obviously
present..
The 0 k 0 absences could be generated by a nc translation of x, 1/2, z - do
you have that?
Twinning is unusual in P2/mmm but possible of course - can you send the
pointless log file?
Eleanor
On 9 August 2018 at
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
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 (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
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
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