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
Actually Marcelo - Refinement to an R of 41% is pretty good for an MR
solution!
On 10 August 2018 at 18:42, Eleanor Dodson
wrote:
> Can you attach the refinement log?
>
> Eleanor
>
> On 10 August 2018 at 16:57, Marcelo Liberato
> wrote:
>
>> Dear Randy,
>>
>> Thank you very much for answering
Can you attach the refinement log?
Eleanor
On 10 August 2018 at 16:57, Marcelo Liberato
wrote:
> Dear Randy,
>
> Thank you very much for answering. I followed your suggestions but,
> unfortunately, I couldn't get a reasonable electron density map after MR
> and refinement.
>
>
> First I would l
Dear Randy,
Thank you very much for answering. I followed your suggestions but,
unfortunately, I couldn't get a reasonable electron density map after MR
and refinement.
First I would look at the data to see if you have ice rings, because the
> peak in mean intensity and second moment of the inte
Just to be clear, the Pointless default setting (“CELL-BASED”), which has a On 10 Aug 2018, at 08:29, Kay Diederichs
> wrote:
>
> Tommi,
>
> one aspect that may be confusing is that XDS and POINTLESS by default have a
> different way to describe the setting of orthorhombic space groups with 1
These problems are a pain!
My (half-baked) thoughts
0) Yes - get rid of all junk images etc and inspect the frames - we have
had a case where MR would not work for the "best" crystal as processed by
XDS, but when we looked at the images there was clear streaking and other
technical problems. t
TLS groups are a good way to reduce the R-factor without doing very
stupid things. They give a better fit of coordinates to the data, so,
when done well, you get a better description of reality without
(hopefully) over-fitting. Most times, I think, TLS groups are defined by
the experimentalist
Dear CCP4bb readers,
We are in the process of decommissioning our in-house X-ray source and would
like to offer it to the community. The device is showing its age based on the
technology, but hopefully somebody could make use of it. In brief, the
equipment is a Rigaku 007-HF generator with two R
Tommi,
one aspect that may be confusing is that XDS and POINTLESS by default have a
different way to describe the setting of orthorhombic space groups with 1 or 2
screw axes
This seems relevant for this particular project, and is discussed in
https://strucbio.biologie.uni-konstanz.de/xdswiki/in
