Homonuclear J-couplings and heteronuclear structural constraints.

ABSTRACT: In magic angle spinning (MAS) experiments involving uniformly ¹³C/¹⁵N labeled proteins, ¹³C-¹³C and ¹³C-¹⁵N dipolar recoupling experiments are now routinely used to measure direct dipole-dipole couplings that constrain distances and torsion angles and determine molecular structures. When the distances are short (<4 Å), the direct couplings dominate the evolution of the spin system, and the ¹³C-¹³C and ¹³C-¹⁵N J-couplings (scalar couplings) are ignored. However, for structurally interesting >4 Å distances, the dipolar and J-couplings are generally of comparable magnitude, and the variation in J must be included in order to optimize the precision of the experiment. This problem is ci

SUBMITTER: Saliba EP 

PROVIDER: S-EPMC12103888 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature