[buster-discuss] test flag number in BUSTER

[David Veesler]

Hi Keitaro,
I am not a Buster developer but a thorough user and can provide you with some answers.
When you start a Buster job, you can see on the shell that Buster carries on a basic check of your pdb and mtz and directly after you can see something like that

############################################################################## 
# refining against FP,SIGFP with: FreeR_flag 
############################################################################## 

In that case it means that Buster runs with a FreeRflag:
-the one present in your mtz if you have one with the correct name and 0 label
-or with an automatically generated one with 5% of your reflections if you don't have one matching these criteria

Regarding your Rfree values, there is nothing surprising at all, Buster always provide better Rfree values than other refinement software and this is due in a large extent to the superior solvent model. Accordingly, if you compare the electron-density maps you will see that they are of superior quality with Buster.

HTH
Cheers
David

Le 26 mars 2011 à 08:02, Keitaro Yamashita a écrit :

> Dear BUSTER developers,
> 
> I have questions about running autoBUSTER 2.8.
> I'm very new to this software.
> 
> How can I know which FreeR_flag number is used as test set?
> And how can I tell BUSTER the correct flag number?
> 
> Looking at free-R value given by autoBUSTER, I noticed it is very
> smaller than by other softwares (phenix.refine and refmac5 say 43%,
> but BUSTER says 36%).
> So I'm afraid that free-R flag number was wrongly chosen.
> 
> 
> Thanks in advance,
> 
> Keitaro
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