Simmons, Thomas J., Mortimer, Jenny C., Bernardinelli, Oigres D., Pöppler, Ann Christin, Brown, Steven P., deAzevedo, Eduardo R., Dupree, Ray and Dupree, Paul (2016) Data for Folding of xylan onto cellulose fibrils in plant cell walls revealed by solid-state NMR. [Dataset]

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Abstract

Exploitation of plant lignocellulosic biomass is hampered by our ignorance of the molecular basis for its properties such as strength and digestibility. Xylan, the most prevalent non-cellulosic polysaccharide, binds to cellulose microfibrils. The nature of this interaction remains unclear, despite its importance. Here we show that the majority of xylan, which forms a threefold helical screw in solution, flattens into a twofold helical screw ribbon to bind intimately to cellulose microfibrils in the cell wall. 13C solid-state magic-angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy, supported by in silico predictions of chemical shifts, shows both two- and threefold screw xylan conformations are present in fresh Arabidopsis stems. The twofold screw xylan is spatially close to cellulose, and has similar rigidity to the cellulose microfibrils, but reverts to the threefold screw conformation in the cellulose-deficient irx3 mutant. The discovery that induced polysaccharide conformation underlies cell wall assembly provides new principles to understand biomass properties.

Item Type:	Dataset
Subjects:	Q Science > QK Botany
Divisions:	Faculty of Science > Physics
Type of Data:	Experimental data
Library of Congress Subject Headings (LCSH):	Xylans, Polysaccharides, Microfibrils, Arabidopsis
Publisher:	University of Cambridge
Official Date:	12 October 2016
Dates:	Date Event 12 October 2016 Published
Status:	Not Peer Reviewed
Publication Status:	Published
Media of Output:	.m .c
Access rights to Published version:	Open Access
Copyright Holders:	University of Warwick
Description:	Data record consists of two zip archives containing the data and the software for opening the data respectively. Solid state NMR data files. Files for the DIPSHIFT calculations are listed in the readme file. The original Origin.c code may not be widely available therefore Matlab versions are also attached 1) the original Origin.c code - dipshift.c (inside are the codes for CH and CH2 groups, which can be called directly from the origin command window) 2) A .m file code for calculating DIPSHIFT curves for CH groups - DIPSHIFT_CH.m. 3) A .m file code for calculating DIPSHIFT curves for CH2 groups DIPSHIFT_CH2.m. 4) a set of angles and weight for powder average based on the repulsion method - powder_angles.dat (this can be used for both Matlab or Origin.c, but in the latter case it should be loaded into an Origin worksheet before running).
RIOXX Funder/Project Grant:	Project/Grant ID RIOXX Funder Name Funder ID BB/G016240/1 [BBSRC] Biotechnology and Biological Sciences Research Council http://dx.doi.org/10.13039/501100000268 UNSPECIFIED Advantage West Midlands http://dx.doi.org/10.13039/100014381 159341/2011-6 Conselho Nacional de Desenvolvimento Científico e Tecnológico http://dx.doi.org/10.13039/501100003593 206278/2014-4 Conselho Nacional de Desenvolvimento Científico e Tecnológico http://dx.doi.org/10.13039/501100003593 Newton International Fellowship Royal Society http://dx.doi.org/10.13039/501100000288 UNSPECIFIED [ERDF] European Regional Development Fund http://dx.doi.org/10.13039/501100008530 UNSPECIFIED Leverhulme Trust http://dx.doi.org/10.13039/501100000275 UNSPECIFIED University of Warwick http://dx.doi.org/10.13039/501100000741
Related URLs:	Related item in WRAP Other
Contributors:	Contribution Name Contributor ID Contact Person Brown, Steven P. 1193

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