Hi Maia, 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 help here). 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. Good luck, Miguel 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 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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-- Miguel Ortiz Lombardía Architecture et Fonction des Macromolécules Biologiques UMR6098 ( CNRS, U. de Provence, U. de la Méditerranée ) Case 932 163 Avenue de Luminy 13288 Marseille cedex 9 France Tel : +33(0) 491 82 55 93 Fax: +33(0) 491 26 67 20 e-mail: [email protected] Web: http://www.pangea.org/mol/spip.php?rubrique2