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
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Jacob Pearson Keller, PhD
Looger Lab/HHMI Janelia Research Campus
19700 Helix Dr, Ashburn, VA 20147
email: [email protected]
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Dr Gabor Bunkoczi
Cambridge Institute for Medical Research
Wellcome Trust/MRC Building
Addenbrooke's Hospital
Hills Road
Cambridge CB2 0XY
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