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Biophys J, June 2001, p. 2946-2953, Vol. 80, No. 6
and
*European Molecular Biology Laboratory, Hamburg Outstation, D-22603
Hamburg, Germany; Institute of Crystallography, Russian
Academy of Sciences, Leninsky pr. 59, 117333 Moscow; and
Physics Department, Moscow State University, Moscow
117234, Russia
An ab initio method for building
structural models of proteins from x-ray solution scattering data is
presented. Simulated annealing is employed to find a chain-compatible
spatial distribution of dummy residues which fits the experimental
scattering pattern up to a resolution of 0.5 nm. The efficiency of the
method is illustrated by the ab initio reconstruction of
models of several proteins, with known and unknown crystal structure,
from experimental scattering data. The new method substantially
improves the resolution and reliability of models derived from
scattering data and makes solution scattering a useful technique in
large-scale structural characterization of proteins.
Biophys J, June 2001, p. 2946-2953, Vol. 80, No. 6
© 2001 by the Biophysical Society 0006-3495/01/06/2946/08 $2.00
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