Abstract
ADAPT-NMR (Assignment-directed Data collection Algorithm utilizing a Probabilistic Toolkit in NMR) is a software package whose Bayesian core uses on-the-fly chemical shift assignments to guide data acquisition by non-uniform sampling from a panel of through-bond NMR experiments. The new version of ADAPT-NMR (ADAPT-NMR v3.0) has the option of utilizing 2D tilted-plane versions of 3D fast spectral acquisition with BEST-type pulse sequences, while also retaining the capability of acquiring and processing data from tilted-plane versions of conventional sensitivity-enhanced experiments. The use of BEST experiments significantly reduces data collection times and leads to enhanced performance by ADAPT-NMR.
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Acknowledgments
We thank our collaborators for providing the proteins samples used in this work: brazzein (Fariba Assadi-Porter and Hongyu Rao, University of Wisconsin-Madison), Fra2 (Angela-Nadia Albetel and Caryn Outten, University of South Carolina), NANOG (Sarata Sahu and others at the Center for Eukaryotic Structural Genomics, University of Wisconsin-Madison), m-Uba3 (Emine Sonay Elgin, Mugla Üniversitesi, Muğla, Turkey), AeSCP2 (James Radek, Que Lan, and Kiran Singarapu, University of Wisconsin Madison), and Rbd (Chad Petit, University of Alabama at Birmingham; Gabriel Cornilescu, University of Wisconsin Madison). This study made use of the National Magnetic Resonance Facility at Madison, which is supported by National Institutes of Health (NIH) grant P41GM103399. Equipment was purchased with funds from the University of Wisconsin-Madison, the NIH P41GM103399, S10RR02781, S10RR08438, S10RR023438, S10RR025062, S10RR029220), and the National Science Foundation (DMB-8415048, OIA-9977486, BIR-9214394).
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Hesam Dashti and Marco Tonelli are equal first authors.
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Dashti, H., Tonelli, M. & Markley, J.L. ADAPT-NMR 3.0: utilization of BEST-type triple-resonance NMR experiments to accelerate the process of data collection and assignment. J Biomol NMR 62, 247–252 (2015). https://doi.org/10.1007/s10858-015-9950-7
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DOI: https://doi.org/10.1007/s10858-015-9950-7