Dear Bradley,
a recent refinement of a protein complex at 4.3 A was stabilized by
using hydrogen bond restraints in secondary structures [1] (described in
the supplementary material). Subjectively, the additional restraints had
a small positive effect on the electron density interpretability of
parts that were missing in the model. Irrespective of that, the hydrogen
bonds stabilized the known/expected secondary structural elements during
refinement and had a positive effect on the Ramachandran plot (which is
not an independent quality control anymore, as with all restraints).
Good luck,
Dirk.
[1] Nature 462, 323-330 (2009)
Am 14.04.10 15:41, schrieb Bradley Hintze:
I am looking for published examples where hydrogen bond restraints
were helpful in refinement. Can anyone point me to some papers?
--
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Dirk Kostrewa
Gene Center, A 5.07
Ludwig-Maximilians-University
Feodor-Lynen-Str. 25
81377 Munich
Germany
Phone: +49-89-2180-76845
Fax: +49-89-2180-76999
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