³¹P-dephased, ¹³C-detected REDOR for NMR crystallography at natural isotopic abundance.

ABSTRACT: Typically, the process of NMR-based structure determination relies on accurately measuring a large number of internuclear distances to serve as restraints for simulated annealing calculations. In solids, the rotational-echo double-resonance (REDOR) experiment is a widely used approach to determine heteronuclear dipolar couplings corresponding to distances usually in the range of 1.5-8Å. A challenge in the interpretation of REDOR data is the degeneracy of symmetric subunits in an oligomer or equivalent molecules in a crystal lattice, which produce REDOR trajectories that depend explicitly on two or more distances instead of one. This degeneracy cannot be overcome by either spin dilution (for molecules containing ³¹P, ¹⁹F and other highly abundant nuclei) or selective p

SUBMITTER: Greenwood AI 

PROVIDER: S-EPMC5478420 | biostudies-literature | 2017 May

REPOSITORIES: biostudies-literature