[phenixbb] autosol strategy

Maia Cherney chern at ualberta.ca
Wed May 27 21:12:40 PDT 2009


Hi Tom,
thank you for your reply. How can I build a model at this resolution 
3.3A (anomalous signal 4.2A). Actually, that was my major question. Is 
it possible to build a model at this resolution? Or how else I can use 
the phases from the low resolution solution (if I get it) with the high 
resolution native data?

I did not see such a combination in the examples.

Maia

Thomas C. Terwilliger wrote:
> Hi Maia,
>
> As your datasets are in 2 different space groups, you pretty much have to
> solve the structure in one space group, then transfer information about
> the structure (model) to the other space group.
>
> So...you want to run an autosol run with the MAD data (or as SAD,
> sometimes that works better if you have a lot of decay) to solve the
> structure...then you want to build a model if you can in that space group.
>
> Then you have to figure out where that model goes in the high-res
> crystal...you'll use phenix.automr  with your model from the low-res
> crystal to do that.
>
> Then you can do cross-crystal averaging with phenix.multi_crystal average
> to improve the phases (optional). You can also just rebuild the model in
> the high-res crystal form and you may be done.
>
> Good luck!
> All the best,
> -Tom T
>
>   
>>> Hi everyone,
>>>
>>> I have a native set to 2.3A resolution and mercury MAD data in a
>>> different space group to 3.3A resolution (anomalous signal to 4.2A).
>>>
>>> How I can use autosol with the data I have. There is no such example.
>>> (Native +MAD)? What is the best strategy in this case?
>>>
>>> Maia
>>>
>>>
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>>>
>>>       
>
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>
>   




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