Re: [ccp4bb] query regarding interchanging cell axis

2014-12-30 Thread Robert Stroud
Several things, first your diagrams do not have the correct ratios of any unit cell dimensions, so I am not sure why there is the distortion. But it is so, and therefore not clear in any case which axis is which. Second you didnt say how you solved the structures. - if it was by molecular repl

Re: [ccp4bb] query regarding interchanging cell axis

2014-12-30 Thread Kay Diederichs
Hi, I have difficulties to comprehend your description. I understand - most crystals grow in P21212, with cell a=140 , b=110, c=44 - some crystals grow in P21212, with cell a=110 , b=140, c=44 Is that correct? If so, can you refine the structures? To what R-values, at which resolution? The sen

Re: [ccp4bb] query regarding interchanging cell axis

2014-12-30 Thread Phil Evans
OK they looked similar in your pictures Maybe you have two different crystal forms Phil On 30 Dec 2014, at 16:56, "" wrote: > Dear Dr.Evans, > > Thanks for your reply. > > The unit cell parameters are a=140 , b=110, c=44., Hence i am afraid, the > interchange couldn't have occurred due to

Re: [ccp4bb] query regarding interchanging cell axis

2014-12-30 Thread
Dear Dr.Evans, Thanks for your reply. The unit cell parameters are a=140 , b=110, c=44., Hence i am afraid, the interchange couldn't have occurred due to similar a and b. I had performed dehydration using PEG in the said case. I agree that dehydration or soaking with ligand can hardly lead to

Re: [ccp4bb] query regarding interchanging cell axis

2014-12-30 Thread Phil Evans
It looks as if you have a and b about the same length. In that case indexing of the patterns may randomly switch h and k. The CCP4 program Pointless (in ccp4i Data reduction -> Symmetry, Scale, Merge (aimless) or Find or Match Laue group). Give your 1st dataset as the reference. Phil On 30 Dec