[phenixbb] autosol strategy
chern at ualberta.ca
Wed May 27 21:12:40 PDT 2009
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.
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?
>>> phenixbb mailing list
>>> phenixbb at phenix-online.org
> phenixbb mailing list
> phenixbb at phenix-online.org
More information about the phenixbb