Fast Magic-Angle-Spinning ¹⁹F Spin Exchange NMR for Determining Nanometer ¹⁹F-¹⁹F Distances in Proteins and Pharmaceutical Compounds.

ABSTRACT: Internuclear distances measured using NMR provide crucial constraints of three-dimensional structures but are often restricted to about 5 Å due to the weakness of nuclear-spin dipolar couplings. For studying macromolecular assemblies in biology and materials science, distance constraints beyond 1 nm will be extremely valuable. Here we present an extensive and quantitative analysis of the feasibility of ¹⁹F spin exchange NMR for precise and robust measurements of interatomic distances up to 1.6 nm at a magnetic field of 14.1 T, under 20-40 kHz magic-angle spinning (MAS). The measured distances are comparable to those achievable from paramagnetic relaxation enhancement but have higher precision, which is better than ±1 Å for short distances and ±2 Å for long distances. For ¹⁹

SUBMITTER: Roos M 

PROVIDER: S-EPMC6312665 | biostudies-literature | 2018 Mar

REPOSITORIES: biostudies-literature