Insights into the cellulose fibril structure reveal a water-stabilized architecture
Ruoya Ho (United States)1; Jochen Zimmer (United States)1; Keisuke Nakashima (Japan)2; Louis F. L. Wilson (United States)3 4; Louis F. L. Wilson (United States)3 4;
1 - University of Virginia; 2 - Okinawa Institute of Technology; 3 - Department of Molecular Physiology and Biological Physics, University of Virginia School of Medicine, Virginia, United States; 4 - Howard Hughes Medical Institute, Chevy Chase, Maryland, United States;
Keywords: Cellulose fiber, structure, assembly;
Abstract Topics: Theme 8: Cell Wall Mechanics and Biophysics
Type of Presentation: Oral Communication

Abstract text: Cellulose is a linear glucose polymer that is assembled into fibrils to form the load bearing component of plant cell walls. While cellulose fibers have been characterized at high resolution in a dehydrated form, little is known about the fiber architecture in a native-like, hydrated state. We employed cryo-electron microscopy, fluorescence imaging, and molecular dynamics simulations to investigate the structure of a never-dried cellulose fibril. Our results reveal a supramolecular assembly of glucan chains stabilized by structural water molecules. The hydrated fiber is flexible, enabling random bending and rotation around the fiber axis and twisting of individual glucan chains. Solid-state NMR confirms the presence of internal water molecules in the cellulose fiber and their slow exchange with bulk solvent. Molecular dynamics simulations support the accumulation of regularly spaced water molecules along the fiber axis and provide insights into fibrillogenesis in an aqueous milieu. Our results provide an atomistic model of a native-like cellulose fiber that will inform current models of cell wall assembly.