Hello,
can you do some ES-mass spectrometry on your sample ?
There may be a truncated form in the sample and in this case the
occupancy refined C-terminus would be a good solution.
Otherwise I would invent an alternative conformation with 30 %
occupancy and assign very high B-factors so that it won't show up.
Best
Wim
On 17/01/2019 16:40, Andreas Heine
wrote:
Dear CCP4-BB,
after refining a fairly high resolution aldose reductase structure
(0.96 A) we observed negative Fo-Fc density (-3.0 sigma) for the
three C-terminal residues (314-316). However, the 2Fo-Fc density
clearly showed the position of these residues without indication
of a second conformation for these residues. Therefore, we decided
to refine the occupancy for the entire 3 residues, which refined
to 70%. After occupancy refinement the negative density
disappeared. We are now courious if it is acceptable to deposit
the structure with 3 residues only partially occupied without
indication of a second conformation or how to proceed otherwise?
Thanks for any advice,
Lea and Andreas
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Wim
Burmeister
Professeur
Institut de Biologie
Structurale (IBS) CIBB
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/ CS 20192
38044 Grenoble Cedex 9, FRANCE
E-mail: [email protected]
Tel: +33 (0) 457 42 87 41 Fax: +33 (0)
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autres combats n’ont aucun sens si celui-là est
perdu» (Aurélien Barrau)
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