A global multi-technique approach to study low-resolution solution structures

Abstract

Finding the conformation of large macromolecular complexes has become an important problem in structural biology, which is not always soluble by high-resolution techniques such as X-ray crystallography and NMR spectroscopy. Solution biophysical properties can provide direct or indirect structural information on these large complexes. A general systematic approach to the construction of a structural model of the macromolecule consistent with all the experimental solution properties is currently lacking. In this paper, such an approach is presented, where generalized rigid-body modelling is combined with a Monte Carlo/simulated-annealing optimization method, to search over a large range of possible conformations for the structure that best fits solution experimental properties derived from small-angle scattering, fluorescence resonance energy transfer and analytical ultracentrifugation. © 2005 International Union of Crystallography - all rights reserved.