Re: [ccp4bb] Question regarding S-SAD

2010-10-18 Thread Clemens Vonrhein
Hi Kornelius, On Mon, Oct 18, 2010 at 02:03:53PM +0200, Kornelius Zeth wrote: > What I noticed was that the spot profiles in XDS looked not as the > are supposed to, presumably because the mosaicity of the spots are > 0.4-0.6 and spot integration may be hampered. Still, merging > Rfactors are bril

Re: [ccp4bb] Question regarding S-SAD

2010-10-18 Thread Dirk Kostrewa
Dear Kornelius, a few thoughts that come to my mind: - Are you sure about the space group P6? For proteins, P6_1, P6_2, ..., P6_5 are more usual. - Did you try both hands of the Se-sites? In case of space group P6_n, you have to invert both the handedness of the sites _and_ of the space gr

[ccp4bb] Question regarding S-SAD

2010-10-18 Thread Kornelius Zeth
Dear all, we have collected S-SAD data (2x4000 Frames, 0.1 degrees, wedges of 40 Frames, Rf between 3-5% overall) and received a dataset to 2.5 A which is complete with a redundancy of 30-40. Space group is P6 and the AU 120 residues, 6 Mets. Native data are up to 1.9 A Sharp and Phenix both re