title: Joint use of small-angle X-ray and neutron scattering to study biological macromolecules in solution.
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.
authors.affiliation: European Molecular Biology Laboratory, Hamburg Outstation, c/o DESY, Notkestrasse 85, 22603, Hamburg, Germany.
authors.forename: Maxim V
authors.initials: MV
authors.lastname: Petoukhov
authors.forename: Dmitri I
authors.initials: DI
authors.lastname: Svergun
mesh_terms: D000465:Algorithms; D001226:Aspartate-tRNA Ligase / Q000737:chemistry* / Q000378:metabolism; D017123:Bacteriophage T7 / Q000201:enzymology; D003198:Computer Simulation; D004259:DNA-Directed DNA Polymerase / Q000737:chemistry* / Q000378:metabolism; D003845:Deoxycytosine Nucleotides / Q000737:chemistry / Q000378:metabolism; D008958:Models, Molecular; D015394:Molecular Structure; D009502:Neutrons; D012343:RNA, Transfer / Q000737:chemistry / Q000378:metabolism; D012542:Scattering, Radiation; D014965:X-Rays
chemical_list: D003845:Deoxycytosine Nucleotides; C024107:2'-deoxycytidine 5'-triphosphate; D012343:RNA, Transfer; D004259:DNA-Directed DNA Polymerase; D001226:Aspartate-tRNA Ligase