[phenixbb] autosol strategy

Thomas C. Terwilliger terwilliger at lanl.gov
Wed May 27 20:03:41 PDT 2009

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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>> phenixbb at phenix-online.org
>> http://www.phenix-online.org/mailman/listinfo/phenixbb

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