[phenixbb] autosol strategy
Miguel Ortiz Lombardia
miguel.ortiz-lombardia at afmb.univ-mrs.fr
Thu May 28 01:18:29 PDT 2009
If your phases are good enough I think resolve should be able to build
at least a good partial model. Otherwise, you can build it manually...
Your resolution isn't great, but you may be able to place some
secondary structure elements (ARP/wARP 'Quick fold' can also come to
Perhaps another option is to solve your native dataset by molecular
replacement using the best map you have from the MAD dataset, then you
wouldn't need to build a model in the low resolution MAD data. Molrep
and AMoRe can do that, probably Phaser can as well.
Le 28 mai 09 à 06:12, Maia Cherney a écrit :
> 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
> resolution native data?
> I did not see such a combination in the examples.
> 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
>> 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
>> 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
>> 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
>>>> How I can use autosol with the data I have. There is no such
>>>> (Native +MAD)? What is the best strategy in this case?
>>>> phenixbb mailing list
>>>> phenixbb at phenix-online.org
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>> phenixbb at phenix-online.org
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Miguel Ortiz Lombardía
Architecture et Fonction des Macromolécules Biologiques
UMR6098 ( CNRS, U. de Provence, U. de la Méditerranée )
163 Avenue de Luminy
13288 Marseille cedex 9
Tel : +33(0) 491 82 55 93
Fax: +33(0) 491 26 67 20
e-mail: miguel.ortiz-lombardia at afmb.univ-mrs.fr
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