Re: [ccp4bb] Snow leopard + NVidia quadro FX4500

2010-06-15 Thread Dirk Kostrewa
Dear Deena, yes, I have a Mac Pro with an Nvidia FX 4500 running under 10.6.3. For me, all programs work more or less fine in hardware stereo (Pymol, Coot, Moloc, Chimera). I've done the following to get it working: 1. Connect the CRT monitor to the first DVI socket of the graphics card

[ccp4bb] Psuedo translational symmetry in a nutshell?

2010-06-15 Thread tat cheung cheng
Hi all, Pseudo translational symmetry problem was detected in my crystal. I am going to summarize my work on this in presentation and thesis. While some of my examiners are not crystallographer, and I notice there are several good papers on this, but I wonder is there any way to present the

Re: [ccp4bb] Stuck refinement

2010-06-15 Thread Eleanor Dodson
When this happens, I firstly suspect that the spacegroup may be wrong. We had a case where the symmetry was pseudo I4212 but was really I222 (or was it really I212121) Anyway most of the structure obeyed the I41212 symmetry but there was a tail which did not..) Feed the unmerged

[ccp4bb] Phaser error: Reflections are not a unique set by symmetry

2010-06-15 Thread John Chipperfield
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

Re: [ccp4bb] Phaser error: Reflections are not a unique set by symmetry

2010-06-15 Thread Phil Evans
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,

Re: [ccp4bb] Stuck refinement

2010-06-15 Thread Zhou, Tongqing (NIH/VRC) [E]
Hi, Everyone, Thank you all very much for the nice suggestions. I am trying to reply within this email. I agree that the problem may be rooted from the crystal itself, we noticed during data collection that a wedge of the rotation was very mosaic, HKL2000 was able to pick up the right spots,

Re: [ccp4bb] Stuck refinement

2010-06-15 Thread Pavel Afonine
Hi Tongqing, apart from potential space group related issues that the other mentioned already, I can't really see anything wrong. Here is how your R-factors compare to the other R-factors for all similar structures in PDB: Histogram of Rwork for models in PDB at resolution 2.50-2.70 A: