Hi Jacob,
I would superpose domain B onto each domain A in turn, and run
refinement in Phaser. If the LLG goes up, exchange that domain A for a
domain B, otherwise keep. This requires 14 refinement calculations.
This procedure may not give you what you are hoping for if your models
are distant, since in this case domain A may be a better model for both
domains. However, you could still improve your solution this way, and is
therefore probably worth it.
BW, Gabor
On 2015-02-05 15:20, Keller, Jacob wrote:
> Hi All,
>
> I have 14 identical domains placed in my ASU with reasonable MR
> scores, but the problem is that there should really be 7+7 or 8+8 of
> domains A and B (which are structurally similar). Can anyone think of
> a great and easy way of resolving the ambiguity?
>
> I was thinking potentially:
>
> -change one domain to polyAla
> -SA omit map of that one
> -rebuild/refine
> -iterate through all domains, noting scores
>
> Seems it might be pretty low reliability and a fair amount of work
> though. Otherwise, could try to go back to a small SAD signal, use
> partial model phases to find HAs, then phase without the model,
> rebuild from there. Any thoughts or similar experiences?
>
> JPK
>
>
> *******************************************
> Jacob Pearson Keller, PhD
> Looger Lab/HHMI Janelia Research Campus
> 19700 Helix Dr, Ashburn, VA 20147
> email: [log in to unmask]
> *******************************************
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Dr Gabor Bunkoczi
Cambridge Institute for Medical Research
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