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Biophys J, June 1999, p. 2879-2886, Vol. 76, No. 6
European Molecular Biology Laboratory, Hamburg, Germany and Institute of Crystallography, Russian Academy of Sciences, Moscow, Russia
A method is proposed to restore ab initio low resolution
shape and internal structure of chaotically oriented particles (e.g., biological macromolecules in solution) from isotropic scattering. A
multiphase model of a particle built from densely packed dummy atoms is
characterized by a configuration vector assigning the atom to a
specific phase or to the solvent. Simulated annealing is employed to
find a configuration that fits the data while minimizing the
interfacial area. Application of the method is illustrated by the
restoration of a ribosome-like model structure and more realistically
by the determination of the shape of several proteins from experimental
x-ray scattering data.
Biophys J, June 1999, p. 2879-2886, Vol. 76, No. 6
© 1999 by the Biophysical Society 0006-3495/99/06/2879/08 $2.00
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