Joint use of small-angle X-ray and neutron scattering to study biological macromolecules in solution

Eur Biophys J. 2006 Sep;35(7):567-76. doi: 10.1007/s00249-006-0063-9. Epub 2006 Apr 25.

Abstract

Novel techniques for simultaneous analysis of X-ray and neutron scattering patterns from macromolecular complexes in solution are presented. They include ab initio shape and internal structure determination of multicomponent particles and more detailed rigid body modeling of complexes using high resolution structures of subunits. The methods fit simultaneously X-ray and neutron scattering curves including contrast variation data sets from selectively deuterated complexes. Biochemically sound interconnected models without steric clashes between the components displaying a pre-defined symmetry are generated. For rigid body modeling, distance restraints between specified residues/nucleotides or their ranges are taken into account. The efficiency of the methods is demonstrated in model examples, and potential sources of ambiguity are discussed.

MeSH terms

  • Algorithms
  • Aspartate-tRNA Ligase / chemistry*
  • Aspartate-tRNA Ligase / metabolism
  • Bacteriophage T7 / enzymology
  • Computer Simulation
  • DNA-Directed DNA Polymerase / chemistry*
  • DNA-Directed DNA Polymerase / metabolism
  • Deoxycytosine Nucleotides / chemistry
  • Deoxycytosine Nucleotides / metabolism
  • Models, Molecular
  • Molecular Structure
  • Neutrons*
  • RNA, Transfer / chemistry
  • RNA, Transfer / metabolism
  • Scattering, Radiation*
  • X-Rays*

Substances

  • Deoxycytosine Nucleotides
  • 2'-deoxycytidine 5'-triphosphate
  • RNA, Transfer
  • DNA-Directed DNA Polymerase
  • Aspartate-tRNA Ligase