There could be a release of sum stress in the crystal with increasing
temperature which could even lead to better ordering I can imagine.
But that would need a very close inspection and mainly - are the structures
completely isomorphous?? I.e. are there changes at all?
If not then I am puzzled.
J
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 (w
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 acr
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.
I
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,
is
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 separate
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 sc
The Du Lab and the Lü Lab are interested in understanding the molecular
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Dear all,
We are looking for two highly motivated, dynamic and driven postdocs to join
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Dear all,
wwPDB, in collaboration with the PDBx/mmCIF Working Group, has set plans
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these extended IDs will not be supported by the legacy PDB file format.
Dear colleagues,
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