[phenixbb] low res structures and Phenix

[Pavel Afonine]

Here is a nice discussion about low resolution refinement:

B. DeLaBarre and *A.T. Brunger*, Considerations for the refinement of 
low resolution crystal structures, /Acta Crystallographica D/ *26*, 
923-932 (2006).

Pavel.

Tom Terwilliger wrote:
> Hi John,
>
> I'll answer the first of your questions...
> -Tom T
>
>
>   
>> I have a couple of questions regarding low res structures in Phenix 
>> (about 3.5 angstroms res).
>>
>> 1.  Can Phenix do B-factor sharpening for improved maps?  If not 
>> what program do people usually use for this?
>>     
>
> If you are using the AutoSol wizard, you can use the keywords:
>
> correct_aniso=True   b_overall=20.0
>
> to force correction of any anisotropy in your data and to set the 
> overall B to 20.0.  Note that this will affect all the maps produced 
> by the AutoSol wizard.  I have not yet found this to improve the 
> quality of the resulting model; if it works for you please let me know!
>
>
> You can also use phenix.xtriage to do this:
>
> phenix.xtriage perfect.mtz hklout=output.mtz aniso.action=True 
> aniso.final_b=user_b_iso aniso.b_iso=77
>
> will set the b_iso of perfect.mtz to 77
>
>
>
>   
>> 2.  How can one optimize Ksol and Rprobe (bulk solvent model) in Phenix?
>>
>> 3.  Are there any other suggestions for dealing with low resolution 
>> structures in Phenix?
>>
>> Thanks,
>> John Bruning
>> _______________________________________________
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>>     
>
>
>
>
> Thomas C. Terwilliger
> Mail Stop M888
> Los Alamos National Laboratory
> Los Alamos, NM 87545
>
> Tel:  505-667-0072                 email: terwilliger at LANL.gov
> Fax: 505-665-3024                 SOLVE web site: http://solve.lanl.gov
> PHENIX web site: http:www.phenix-online.org
> ISFI Integrated Center for Structure and Function Innovation web 
> site: http://techcenter.mbi.ucla.edu
> TB Structural Genomics Consortium web site: http://www.doe-mbi.ucla.edu/TB
>
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