[phenixbb] automr with muti components (NMR models)

Randy J. Read rjr27 at cam.ac.uk
Sun Dec 9 12:39:14 PST 2007


We've had reasonable success with NMR ensembles. A couple of suggestions 
for things to try:

1. We don't usually find that it helps to include more than the first 5 or 
so members of the NMR ensemble.

2. Even if the sequence identity is 100%, NMR structures usually aren't as 
good as X-ray structures for molecular replacement models. So rather than 
letting Phaser choose an RMSD for the model from the sequence identity, I 
usually set the RMSD to 1.5A for NMR models.

Let me know if you're still having trouble.

Randy Read

On Dec 3 2007, ming lu wrote:

>Hi everyones
> I am trying automr to solve the structure of my protein. It has three 
> domains, each domain has NMR structure available. So the sequence 
> identity of my search model is 100%. I tried use mutiple components as 
> search models, but I had a hard time to obtain a interpretable solution. 
> Any suggestions on the use of mutiple components as search models? or 
> suggestions on how to use NMR structure as search models? Thanks for your 
> help.

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