Comprehensive macromolecular conformations mapped by quantitative SAXS analyses.

Hura, Greg L; Budworth, Helen; Dyer, Kevin N; Rambo, Robert P; Hammel, Michal; McMurray, Cynthia T; Tainer, John A · Nat Methods · 2013

basic_science · Level V

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Abstract

Comprehensive perspectives of macromolecular conformations are required to connect structure to biology. Here we present a small angle X-ray scattering (SAXS) Structural Similarity Map (SSM) and Volatility of Ratio (<i>V<sub>R</sub></i>) metric providing comprehensive, quantitative and objective (superposition-independent) perspectives on solution state conformations. We validate <i>V<sub>R</sub></i> and SSM utility on human MutSβ, a key ABC ATPase and chemotherapeutic target, by revealing MutSβ DNA sculpting and identifying multiple conformational states for biological activity.

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