Direct Measurement of Angles Between Bond Vectors in High-Resolution NMR

• DOI: 10.1126/science.276.5316.1230
• Publication Date: 2002-07-27T09:50:14Z
• Authors: Bernd Reif; Mirko Hennig; Christian Griesinger
• Keywords: J-coupling; Coupling constant; Dihedral angle; Molecular geometry

Angles between two interatomic vectors are measured for structure elucidation in solution nuclear magnetic resonance (NMR). The angles can be determined directly by using the effects of dipole-dipole cross-correlated relaxation double-quantum and zero-quantum coherences. rates related to angular geometry without need calibration a Karplus-type curve, as is case scalar coupling measurements, depend only on rotational correlation time molecule an empirical parameter. This makes determination torsional independent from measurement constants. principle arbitrarily far apart. method was demonstrated peptide backbone angle psi protein rhodniin, which difficult determine NMR spectroscopy.