Dear Hui, I am not sure what you mean by the diffraction patterns looking all the same. They don't look the same to me, although they surely don't display any lunes.
The diffraction goes quite a bit beyond 3.5A, but I don't know HKL2000 well enough to explain why it refuses to integration further than 4.4A. Why don't you try imosflm or xds instead of HKL2000? xprep reports an overall Rint (=Rmerge) of 18.9% when merging your data in P4(2)2(1)2, but you probably want to include the whole resolution range (beyond 4A) before you can be all sure about it. Cheers, Tim On Fri, Jul 16, 2010 at 11:30:31PM +0800, hui yang wrote: > Hi all, > > I just collected a data set from a long-spindle-shaped crystal. The data has > been scaled to P1 space group with HKL2000, and the final overall Rmerge is > 0.208. What is strange is that, the diffraction pattern looks all the same > at different rotation angles, and the diffraction point outside the 4A cycle > are excluded automatically and thus lead to a final resolution of 4.4A. I’m > wondering 1) Whether this crystal is twinned? 2) What is the actual space > group of it? A picture of the crystal, three images of the diffraction > pattern (1, 90 and 180), the sca file and log file have been attached to > this mail for your information. > > Any suggestions and comments will be highly appreciated. > > Thank you very much in advance for your inputs. > > Sincerely, > > Hui Yang -- -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A
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