title: Substructure determination in isomorphous replacement and anomalous diffraction experiments.
abstract: The determination of the substructure of heavy atoms or anomalous scatterers is a central step in experimental-phasing procedures. We give an overview of commonly used methods for substructure determination, including estimation of substructure structure factors, Patterson methods, direct methods, dual-space recycling procedures, and methods for substructure refinement and completion. This chapter also includes an annotated list of available program packages.
authors.affiliation: Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA.
authors.forename: Ralf W
authors.initials: RW
authors.lastname: Grosse-Kunstleve
authors.forename: Thomas R
authors.initials: TR
authors.lastname: Schneider
mesh_terms: D000465:Algorithms; D018360:Crystallography, X-Ray / Q000379:methods*