Determination of molecular geometry by high-order multiple-quantum evolution in solid-state NMR

被引:24
作者
Edén, M
Brinkmann, A
Luthman, H
Eriksson, L
Levitt, MH [1 ]
机构
[1] Stockholm Univ, Div Phys Chem, Arrhenius Lab, S-10691 Stockholm, Sweden
[2] Stockholm Univ, Div Struct Chem, Arrhenius Lab, S-10691 Stockholm, Sweden
关键词
D O I
10.1006/jmre.2000.2042
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
The principles of molecular geometry determination by high-quantum heteronuclear local field spectroscopy in solid-state NMR are discussed. The extreme multiple-quantum coherences in a cluster of nuclear spins are allowed to evolve in the presence of heteronuclear through-space couplings to two spins of a different type, The multiple-quantum dephasing curve is independent of the homonuclear spin-spin couplings and may be described in terms of geometric parameters. The triple-quantum version of the experiment is demonstrated by determining the psi torsion angle in a [N-15(2), C-13(3)]-labeled sample of the peptide ala-ala-gly. Two regions of torsion angle space fit the experimental data, one in the neighborhood of -152 degrees and one in the neighborhood of +161 degrees. The latter determination is in excellent agreement with the X-ray estimate of +160.5 degrees. (C) 2000 Academic Press.
引用
收藏
页码:266 / 279
页数:14
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