Re: [ccp4bb] A helix with leucine repeats

2018-03-03 Thread R. Michael Garavito
Dear Cheng, Chris and Ruud have provided you with the typical interpretation of such a motif, but you have forgotten to give the CCP4 community the context of this leucine-repeat helix. Is it amphipathic? Does the protein also have transmembrane helices (as suggested by the figure provided) w

Re: [ccp4bb] does 12 A diffraction worth optimization

2018-03-03 Thread Mark J van Raaij
it's always worth trying optimization, you never know. also try to get a room-temperature diffraction image of your crystal, only then will you know if the cryo or freezing didn't damage it. If at RT it diffracts to high resolution, you will then know that you have to work on the cryo-condition

[ccp4bb] MoRDa update

2018-03-03 Thread Alexey Vagin
Dear All Morda at ccp4online has been updated. The structure solution program is improved and database is extended . The update is also available for existing local Morda installations and can be installed from command line: change to installation directory (by default MoRDa_DB) and type ./upd

Re: [ccp4bb] validating a homlology model

2018-03-03 Thread Ed Pozharski
Assuming that your homology model is that of a dimer, you could put it in a large unit cell (just add CRYST1 record).  The only interface you will get from pisa will be your dimer interface. If your homology model is a monomer, then pisa will not help, of course, and you would need to pred

Re: [ccp4bb] does 12 A diffraction worth optimization

2018-03-03 Thread Paul Miller
Absolutely you should optimise! It's impossible to predict crystal behaviour. I had a 20 A crystal, and I set a new plate in the same reservoir with an additive screen and got a 3A crystal. It was probably a completely different crystal to be honest, lattice, etc, but one never knows, you just h