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. 1999 Jun;76(6):2879-86.
doi: 10.1016/S0006-3495(99)77443-6.

Restoring low resolution structure of biological macromolecules from solution scattering using simulated annealing

D I Svergun  1
Affiliations

Restoring low resolution structure of biological macromolecules from solution scattering using simulated annealing

D I Svergun. Biophys J. 1999 Jun.

Erratum in

  • Biophys J. 1999 Nov;77(5):2896

Abstract

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.

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