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Dear Fei,
are you familiar with the small molecules section at the XDS wiki at
http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Small_molecules
?
If you see many warning messages during the INTEGRATE step of unstable
refinement, the too small DELPHI is most likely the cause.
Actually for small molecules I prefer to switch of any refinement
during the integration step
REFINE(INTEGRATE)=!
and only refine at the end. But even this may be difficult with only
10 degree wedges.
I have seen cases of compatible wedges, and it _MIGHT_ work to
concatenate all XDS_ASCII.HKL into one such file and rerun CORRECT in
order to refine all parameters.
Make sure that the indexing picked the correct unit cell (check with
e.g. adxv!) because that's particularly important with small molecule
data in my experience.
Good luck,
Tim
On 07/04/2013 06:26 PM, Fei Li wrote:
> Dear all,
>
> I recently collected some 10 degree wedges of data on a very small
> membrane protein. The data processing so far is not working well.
> XDS is the only software that process my data and give a space
> group and cell parameters. However, I ended up with a merged
> dataset with low completeness at low resolution. My data is not
> overloaded. This is a very small protein shot with 5um mini-beam. I
> checked the FRAME.cbf file and looks like XDS is not picking the
> spots at low resolution correctly. It missed a good portion of my
> low res spots in every datasets I checked and picked more at high
> res, which are weaker. Then the indexing step will reject most of
> my spots for "too far away from ideal position". imosflm was able
> to pick the spots correctly, but does not index. I can send the
> FRAME.cbf file and the imosflm picture if anyone thinks that will
> he useful to see. Any suggestion on how to make XDS, or imosflm,
> correctly working for me is greatly appreciated. Thanks a lot!
>
> Best regards,
>
> Fei
>
>
> Fei LI Graduate Assistant 310 Biochemistry Building Department of
> Biochemistry and Molecular Biology Michigan State University East
> Lansing, MI 48824
>
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
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