[phenixbb] questions

Jianghai Zhu jzhu at cbr.med.harvard.edu
Thu Dec 14 09:37:25 PST 2006


The resolution is 2.5 A.  The wilson B is about 50.  I know B factor  
of the backbone is lower than that of the sidechian.  But a B factor  
like 4 is definitely wrong.

Jianghai


On Dec 14, 2006, at 12:11 PM, Peter Zwart wrote:

>
>>> 4) The refinement (TLS + ML + B individual) went through, I got
>>> reasonable R, Rfree, rmsdBOND, rmsdANGLE.  But the B factors are
>>> pretty low.  The B factor of the backbone is much lower than the  
>>> side
>>> chain, some have numbers like 4.  Some metal atoms also have B
>>> factors around 4.  What did I do wrong?
>
> What is the resolution of your data?
>
> Backbone B-s usually are lower than the main chain.
>
> What is the Wilson B value reported by phenix.refine?
> You could re-refine and randomize all B-values and see what happens (I
> have to get back to you to to get the exact command for this).  
> Maybe it
> is useful to obtain a copy of the latest verison of phenix.refine by
> downloading cci_apps from our server http://www.phenix-online.org.
>
>
> If your B-values still come out lowish, try growing crystals that  
> do not
> diffract very well, that usually does the trick.
>
> HTH
>
> Peter
>
>
>
>
>
>
>
>
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