The Ambiguity Issue in Solving Inverse Problems of Small-Angle Scattering: A Consistent Approach Using an Insulin Receptor-Related Receptor as an Example. Methods for Interpreting SAXS Data

Abstract The construction of three-dimensional models protein macromolecules is a serious challenge due to the possible ambiguity solving inverse problem reconstructing structure from one-dimensional small-angle scattering profile. target function this task can have several local minima, which leads dependence solution on initial values model parameters and method finding global minimum. creating structural also complicated by averaging pattern over all orientations particles in space size shape distribution objects case polydispersity and/or polymorphism. In study, issue problems restoring considered using ectodomain an insulin receptor-related receptor (ectoIRR) as example. paper presents consistent approach problem, starting determination general ab initio reconstruction modeling rigid bodies (using molecular tectonics), hybrid methods, analysis profiles singular vector decomposition.