Two suggestions for the data processing: 1) The more recent versions of Pointless (since 1.4.3, and better since 1.4.9) can read SAINT output and may do a better job than combat
2) You could scale the data in the Bruker programs and import merged data to CCP4 Phil On 15 Jun 2010, at 10:19, John Chipperfield wrote: > Hi ccp4ers, > > I am currently trying to process a crystallographic data set from a 20kDa > dumbbell shaped protein which was collected on a Bruker Proteum series > detector. The crystal was badly twinned so the Bruker program CELL_NOW was > used to find twin domains within the data. While it seperated the data into > ~25 different domains it was found that ~ half of the reflections belonged to > one domain. Visual inspection of the spot prediction for the unit cell in > this major domain looked good; most of the predicted spots were present with > good alignment even though there was quite a few additional spots from other > domains. This major domain was indexed and integrated on its own (without the > other domains) using the Proteum 2/Saint software that supports the detector. > Unscaled, unmerged reflections were then imported into ccp4 using combat and > run through scala and ctruncate to scale. merge and convert to SFs. However > when I then fed this output into phaser the program failed at the anisotropy > correction module stating, > > "FATAL RUNTIME ERROR: Reflections are not a unique set by symmetry" > > Does this suggest I still have issues with twinning/scaling or is it that Ive > got the space group wrong (currently thought to be P212121)? What > specifically are the likely causes of this error message in Phaser? > > Thanks in advance for your advice, > > John Chipperfield
