Interatomic distance measurement in solid-state NMR between a spin-1/2 and a spin-5/2 using a universal REAPDOR curve

A. Goldbourt; S. Vega; T. Gullion; Alexander J. Vega

doi:10.1021/ja0360642

Interatomic distance measurement in solid-state NMR between a spin-1/2 and a spin-5/2 using a universal REAPDOR curve

A. Goldbourt, S. Vega, T. Gullion, Alexander J. Vega

Research output: Contribution to journal › Article › peer-review

Abstract

A universal curve for the solid-state NMR REAPDOR experiment on an isolated spin^-1/2-spin^-5/2 pair is proposed that provides a simple means to measure their interatomic distance. REAPDOR data were obtained at three separate REAPDOR experiments using different values of the rotor spinning frequency. All points were fitted simultaneously to the universal formula without a need for full density matrix calculations. The ¹³C-¹⁷O distance of 2.45 Å was measured between the C6 carbon and the ¹⁷O label in a tyrosine sample. The error of 8% in the dipolar coupling (Dfit = 278 Hz) is well within the 15% theoretical tolerance of this curve.

Original language	English
Pages (from-to)	11194-11195
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	125
Issue number	37
DOIs	https://doi.org/10.1021/ja0360642
State	Published - 17 Sep 2003
Externally published	Yes

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abstract = "A universal curve for the solid-state NMR REAPDOR experiment on an isolated spin-1/2-spin-5/2 pair is proposed that provides a simple means to measure their interatomic distance. REAPDOR data were obtained at three separate REAPDOR experiments using different values of the rotor spinning frequency. All points were fitted simultaneously to the universal formula without a need for full density matrix calculations. The 13C-17O distance of 2.45 {\AA} was measured between the C6 carbon and the 17O label in a tyrosine sample. The error of 8% in the dipolar coupling (Dfit = 278 Hz) is well within the 15% theoretical tolerance of this curve.",

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AU - Vega, Alexander J.

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AB - A universal curve for the solid-state NMR REAPDOR experiment on an isolated spin-1/2-spin-5/2 pair is proposed that provides a simple means to measure their interatomic distance. REAPDOR data were obtained at three separate REAPDOR experiments using different values of the rotor spinning frequency. All points were fitted simultaneously to the universal formula without a need for full density matrix calculations. The 13C-17O distance of 2.45 Å was measured between the C6 carbon and the 17O label in a tyrosine sample. The error of 8% in the dipolar coupling (Dfit = 278 Hz) is well within the 15% theoretical tolerance of this curve.

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Interatomic distance measurement in solid-state NMR between a spin-1/2 and a spin-5/2 using a universal REAPDOR curve

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