Abstract
A six-fold intertwined triple helical structure for the polysaccharide β(1–3) xylan was generated with the axial advance of 0·306 nm per residue. A stereochemically possible site for the water molecule has been determined and water mediated intrachain and interchain hydrogen bond schemes are possible for the right-handed triple helical structure, whereas only interchain hydrogen bonding appears plausible in the left-handed triple helical structure. The water mediated hydrogen bond is almost linear. X-ray refinement using a Linked-Atom Least-Squares (LALS) procedure has enabled us to determine the orientation of the molecule in the hexagonal unit cell, locate the position of the water molecules and yield a reliability index, R, of 0·35. The refined model in this present study confirms the original chirality of an earlier model but differs in the water mediated hydrogen bonding scheme.
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