Table · dataset · 2019
Data for Pulse programs for multiple receiver acquisition
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We present a suite of two-receiver solid-state NMR experiments for backbone and side chain resonance assignment.
Description
The experiments rely on either dipolar coupling or scalar coupling for polarization transfer and are devised to acquire a 1H–detected 3D experiment AND a nested 13C–detected 2D from a shared excitation pulse. In order to compensate for the lower sensitivity of detection on 13C nucleus, 2D rows are signal averaged during 3D planes.
The 3D dual receiver experiments do not suffer from any appreciable signal loss compared to their single receiver versions and require no extra optimization. The resulting data is higher in information content with no additional experiment time. The approach is expected to become widespread as multiple receivers become standard for new NMR spectrometers.<br><br>NMR Pulse Programs in Topspin Bruker Format are held in the PP directory.
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The pulse sequences are named by their intended polarization pathway, where upper-case letters indicate that a chemical shift dimension is digitized for that portion of the pathway, and lower-case letters indicate that there is no free precession on that nucleus. Square braces indicate simultaneous (or sequential) acquisitions. CA, CB, CO, and Cali refer to the α-carbon, β-carbon, carbonyl, and all aliphatic carbons, respectively.
The number of upper-case nuclei indicates the number of dimensions along a particular pathway, where the square brackets indicate a split in polarization pathway. The type of C-C mixing is indicated after the polarization pathway, examples in this work are RFDR, DREAM, and J (scalar COSY and TOCSY). All heteronuclear polarization transfers were accomplished via CP in this work.
The prefix “war” (for University of Warwick) is used to differentiate these experiments from other similarly named pulse sequences. The Bruker pulse-program names (pulse durations (p2), power levels (pl2), delays, etc.) are self-consistent by type. For example, p10, plw10, plw20, and spnam0 will always refer to an HC CP (as opposed to an HN or NC CP) period for these pulse sequences.
Finally, the “MULREC” suffix is added to differentiate these experiments from similar experiments that do not use a second receiver. For example, the pulse program “war.hCBcaNH_RFDR” is expanded into “war.hCBca[C,NH]_RFDR_MULREC” indicating that this a 3D that encodes the Cβ (and Cα), N, and HN chemical shifts AND also a 2D Cβ-CX experiment. The initial H and intermediate Cα polarizations are not allowed to evolve.
AFTER stands for the 13C acquisition is positioned after the 3D experiment is finished. Includes file for AVANCE III HD console in INCL directory The include files should be copied in the right directory under /opt/topspinXX/exp/stan/nmr/lists/pp/user.
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Where it is published
- DOI doi.org/10.82444/warw.33779581.v1 ↗
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Catalogue records · 1
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|---|---|---|---|
| figshare | oai:figshare.com:article/33779581 | 9 d ago | JSON v1 |
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