I think the basic question being asked is why are the B-factors going the
'wrong' way?
That is, as the temperature increases, one might expect higher B-factors (at
least that is what we are taught) whereas what Matt is seeing is the opposite-
decreasing B-factors as one goes up in temperature
I guess the big question is what is the question that you’re trying to address
from those numbers? I’d be nervous about making conclusions about trends in B
factors from just 1 data set per temperature. As you probably know, the B
factors will reflect static differences in atomic position
On Wed, Sep 7, 2022 at 11:57 AM Matt McLeod wrote:
> Hi everyone,
>
> I have a series of datasets at 253K (~2.0A), 273K (2.0A), 293K (2.0A),
> 313K (2.2A) and I am curious as to the details in determining B-factors.
>
In the larger physical universe those temperatures are not very far apart.
Postdoctoral researcher at the Technical University of Denmark
This position is offered in connection to the project Center for enzymatic
deconstruction of thermoset plastics for a sustainable society (En’Zync). The
center, which will start this coming fall and operate for at least six years,
In addition, I computed the wilson B.s
253 - 41
273 - 35.4
293 - 36.5
313 - 0.19
Looks like there is definitely an issue with the data scaling. Still looking
for suggestions as to what to tweak.
Matt
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Hi Everyone,
I'm experiencing some issues with Coot 0.9 which I have running under Mac OS
when I try to use some older CCP4 packages. It seems to work fine on other
computers running Coot 0.89.
I think a good way to handle this issue is to download an older version of Coot
to run in a
Hi everyone,
I have a series of datasets at 253K (~2.0A), 273K (2.0A), 293K (2.0A), 313K
(2.2A) and I am curious as to the details in determining B-factors.
I have treated these datasets more-or-less identically for comparison's sake.
I used DIALS to index, integrate, and scale the data. I
The Du Lab and the Lü Lab are interested in understanding the molecular
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Dear all,
wwPDB, in collaboration with the PDBx/mmCIF Working Group, has set plans
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Postdoctoral researcher at Lund Medical Faculty/CureVac/Institut Laue-Langevin
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