Re: [ccp4bb] TLS, NCS and refinement

2010-03-29 Thread Eleanor Dodson
Just some ideas. NCS usually good with 2.7A data, TLS only to be used when model is complete.. You say Matthews suggest 11 molecules, but you only find 6 - doesnt this mean you have a very high solvent content? I would check the MR carefully. How are the 6 molecules related - are there

[ccp4bb] TLS, NCS and refinement

2010-03-28 Thread Daniel Bonsor
Hello again... I have a 2.7A resolution data set. Spacegroup P212121 as suggested by Pointless and best space group when run through Phaser. Unit cell is 110.02x160.49x186.55. Mathew's suggest 11 complexes in ASU. Both Molrep and Phaser can only find 6. This seems to be a typical observation

Re: [ccp4bb] TLS, NCS and refinement

2010-03-28 Thread Jürgen Bosch
I'd use NCS in the beginning and maybe also DM solvent flattening, then build and fix your structure, run refmac without NCS, superimpose your chains in Coot and re-define your strict NCS groups accordingly. Therafter you can submit your current coordinates to Ethan's TLSMD server and