Dear Dipankar,
To me, it looks like you have a (slight) problem with your goniometer/detektor
in that e.g. the rotation axis is not exactly horizontal/vertical/perpendicular
to the beam, or that the detector parameters (especially when using a
swing-out) were not completely correctly refined and that this error was fudged
in Denzo by having one of the cell-angles not exactly 90°. This could explain
while the indexing in P222 did not go well, but the scaling did. If the scaling
in P222 went well, this means that the true space group is P222 and that you
have to have a critical look at your detector parameters.
Best,
Herman
________________________________
From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of
Dipankar Manna
Sent: Tuesday, September 11, 2012 7:37 AM
To: [email protected]
Subject: [ccp4bb] Same protein showing different SG
Dear All,
Recently I collected one data set for the protein having SG P222 with
a= 36.8, b= 44.7, c= 78.4(reported with compound). I crystallized the protein
with same kind of other compound. The diffraction was up to 2.3A. But I am
facing problem during indexing. I tried with SGP222 (as reported) but the cell
dimension was showing a= 41.5, b= 96.3, c= 112.7 and distortion index around
9.83% whereas for SGP2 its showing a= 96.3, b= 41.5, c= 112.7 with distortion
index 0.03%. All spots are taken nicely (Denzo). But with P222 predicted spots
are completely different than the real one. So I processed it in P2.
Surprisingly when I put the reported SGP222 and cell dimensions during scaling
(scalepack), for the same data integrated in P2 (just for curiosity), it is
showing better data statistics than P2. Anybody experienced this situation? Am
I doing any mistake during indexing? Asking for the suggestions.
Thanks in advance.
Regards,
Dipankar
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