| I am attempting to use mosflm 6.2.4 (on a Mac G5 running OS 10.4) to integrate a trial data set I collected on an Oxford Xcalibur system. The crystal is one I routinely shoot, but I'm having difficulty obtaining well-refined unit cell dimensions in the expected space group, P2(1)2(1)2(1). Also, the profiles that Mosflm generates are somewhat elongated given the appearance of the reflections (fairly symmetric) and change dramatically during refinement and integration, where they oscillate pretty substantially. I've tried setting fixed profiles, but the scala results indicate weak diffraction at 3 Å, while visual inspection (and integration using XDS) indicates good intensity to 2.5 Å (though XDS gave unusually high Rsym values). The reflections are generally good looking in the 1 degree oscillation images, though mosaicity is a little high, at ~0.8 degrees. I've played around with P2(1) as an alternate space group, but no luck. I suspect there's a problem with the crystal, but I'm curious if anyone else has encountered similar issues using mosflm with data collected on the Xcalibur system. Thanks in advance, Arthur Glasfeld Department of Chemistry Reed College 3203 SE Woodstock Blvd. Portland, OR 97202 USA |
