Re: [ccp4bb] PST in refinement

2008-07-15 Thread Eleanor Dodson
One question - do you have two pairs of molecules, each related by the PST or is there extra non-crystallographic translation ? Averaging or NCS restraints dont give much extra information for molecules in the same orientation. Certainly any pseudo translation will generate sets of weak and

Re: [ccp4bb] PST in refinement

2008-07-15 Thread Maruf Ali
I have four molecules arranged such that molecules a and b are related by PST and adopt the same orientation as do molecules c and d, but there is no pst between the two pairs. All molecules lie in the same plane. A B top view C

Re: [ccp4bb] PST in refinement

2008-07-15 Thread Lijun Liu
Hi Maruf, 1) Why the low-resolution data was collected to 3.2 Å? 2) Is it possible the real space group is P2 with a NCS which making it look like P21, especially when the PST has a value of exact 0.5. Lijun On Jul 14, 2008, at 5:42 AM, Maruf Ali wrote: Dear all I have recently

[ccp4bb] PST in refinement

2008-07-14 Thread Maruf Ali
Dear all I have recently collected several datasets on different crystals of a particular protein with a resolution range form 2.4 - 3.2A. All datasets seem to process well in p21 with a unit cell of 109.6 83.1 115.87 90 94.8 90, and this space group is further supported by

Re: [ccp4bb] PST in refinement

2008-07-14 Thread Jose Antonio Cuesta-Seijo
Dear Maruf, I had a similar case, also to 2.4A. Those translations are often caused by a non-crystallographic 2-fold rotation which is parallel to the crystallographic 2-fold (there is an example in ruppweb as to why that creates the translation and how to interpret it: http://