[ccp4bb] similar unit cell

2017-06-17 Thread dongxiaofei
Dear ALL, I got two kinds of crystals of different proteins ,but there are many similarities. The shape of the crystals are similar, the cell parameters are also similar : protein A , 136.12 94.398 89.47690 125.47990 , Space group C 1 2 1 and protein B , 136.14 94.369 89.115

Re: [ccp4bb] similar unit cell

2017-06-17 Thread Tristan Croll
With those statistics, it seems most probable that these two crystals are the same protein. Do your two target proteins share an expression system and/or purification protocol that could lead to the same contaminant in both? If you have the resolution you could try Arcimboldo to get an initial

Re: [ccp4bb] similar unit cell

2017-06-17 Thread Eleanor Dodson
The cell dimensions are very suspicious, but try merging the two sets of data to see if they really are the same - you can do that best from the integrated data sets, or just compare the Riso between the two sets of amplitudes. I think there is a web server at CCP4 SIMBAD which searches to see if

Re: [ccp4bb] similar unit cell

2017-06-17 Thread Eleanor Dodson
Answer from Ronan Keegan: he cell dimensions are very suspicious, but try merging the two sets of data to see if they really are the same - you can do that best from the integrated data sets, or just compare the Riso between the two sets of amplitudes. I think there is a web server at CCP4 SIMBA

Re: [ccp4bb] similar unit cell

2017-06-17 Thread James Holton
The reduced (aka "Niggli") cell for your case is 82.8246 88.2997 82.8246 98.8892 110.5181 117.0456 You can get this using "tracer" or "othercell" in the CCP4 suite. I keep a local table of reduced cells from the PDB that I update periodically, and the closest one to yours in that list is: 4y

Re: [ccp4bb] similar unit cell

2017-06-18 Thread James Holton
By the way. Does anyone out there have a unit cell search engine still running? The two mentioned on this thread so far: ContaMiner: https://strube.cbrc.kaust.edu.sa/contaminer/ and SIMBAD: http://ccp4serv7.rc-harwell.ac.uk:8080/testserv/ seem to both be down. And the other one I know

Re: [ccp4bb] similar unit cell

2017-06-18 Thread Herbert J. Bernstein
Try http://iterate.sourceforge.net/sauc-1.0.0/ which finds 4Y42 as closest for both cells, but lots of others nearby. On Sun, Jun 18, 2017 at 10:39 AM, James Holton wrote: > > By the way. Does anyone out there have a unit cell search engine still > running? The two mentioned on this thread s