Re: [ccp4bb] Twinning/Spacegroup Woes

2016-10-04 Thread Aleksander Roszak
Dear Rhys, I was not aware that twinning is not possible in P6322 however I agree with Randy’s advise to check the lower symmetry P63 etc. We were just collecting data which was apparently P6322 (according to automated DLS processing: pointless) but the cell dimensions and our knowledge of the

Re: [ccp4bb] Twinning/Spacegroup Woes

2016-10-04 Thread Aleksander Roszak
256. Xtriage suggested suggested three 2-fold merohedral twin operators (-h,-k,l; h,-h-k,-l; and –k,-h,-l). I went to lower symmetry (P31) and applied twinning law (-h,-k,l) during refinement and that reduced by R-factors. Pankaj On Tue, Oct 4, 2016 at 10:22 AM, Aleksander Roszak

[ccp4bb] Siemens Multiwire Area Detector X-1000 available

2008-05-29 Thread Aleksander Roszak
To All at CCP4BB: We have a Siemens X-1000 Multiwire Area Detector to give away. It has been manufactured by Siemens Analytical X-ray Instruments Inc. in Madison, Wisconsin, USA. Equipment available includes multiwire area detector X-1000 itself, its Position Decoding Circuit, the 4-circle

Re: [ccp4bb] Preventing close contact between protein and ligand

2008-07-30 Thread Aleksander Roszak
Hi Garib, This is a side-question. What you just said writing to Abhinav explains why I have problem of some repulsion between identical ligands with different tail conformations when I try to refine them at 25% and 25% occupancy. In my case the overall occupancy of the ligand is not expe

Re: [ccp4bb] low B factors

2008-11-11 Thread Aleksander Roszak
Hi Jan, Did you use the TLS refinement for your data? I have had the similar problem with the multi-group TLS refinement. After the first run the resulting pdb file contained unreasonably small atomic B factors for many atoms comparing to the Wilson plot B factor. They seemed to be the TL

[ccp4bb] Fwd: [ccp4bb] dry shipper & FedEx

2009-02-02 Thread Aleksander Roszak
Hi Uli, When we send our dry shipper from UK to ESRF, Grenoble, via FedEx we place a following note on the box: DRY SHIPPER, Non-hazardous, non-toxic, non-flammable, non- restricted. Conforms with the IATA regulations Special Provision A800 We write the same in the Contents place of the I