Dear All,
I have collected a dataset from a small protein diffracting at 2.7A
resolution, here is the space-group determination from XDS:
* 44 aP 0.0 66.3 66.3 83.9 90.2 90.1 98.7
* 31 aP 1.2 66.3 66.3 83.9 89.8 90.1 81.3
* 14 mC 1.3 86.4 100.6 83.9 90.0 90.2 90.0
* 34 mP 2.9 66.3 83.9 66.3 90.2 98.7 90.1
* 13 oC 3.7 86.4 100.6 83.9 90.0 90.2 90.0
* 10 mC 4.9 100.6 86.4 83.9 89.8 90.0 90.0
Clearly, something weird is going on...
The structure can be solved in C2/P21/C2221 with different number of
molecules in the AU, with Phaser complaining about strong tNCS modulation.
However the maps look bad and the structure is impossible to refine
(Rfact > 0.5) in all the space-groups that I have tried so far...
Thanks in advance for any advice on how to rescue these data !
Cheers,
GIA
Click to zoom the image
--
Dr. Gianluca CIOCI
Toulouse Biotechnology Institute (TBI)
http://www.toulouse-biotechnology-institute.fr/en/research/enzyme-molecular-engineering-and-catalysis/cimes.html
PICT - Plateforme Intégrée de Criblage de Toulouse
http://www.pict.ipbs.fr/
Tel: +33 (0)5 61 55 97 68
E-mail:[email protected]
TBI - INSA Toulouse
135 avenue de Rangueil
31077 Toulouse CEDEX 04
http://www.toulouse-biotechnology-institute.fr
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