Polysaccharide structures from powder diffraction data: molecular models of arabinan
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Updated: Aug 19, 2026

Structural Characterization of Mannan Cell Wall Polysaccharides in Plants Using PACE
Published on: October 16, 2017
Srinivas Janaswamy1, Rengaswami Chandrasekaran
1Whistler Center for Carbohydrate Research, Department of Food Science, Purdue University, West Lafayette, IN 47907-2009, USA.
Abstract:
X-ray intensity data from a polycrystalline sample of debranched arabinan, [-->5)-alpha-L-Ara(f)-(1-->](n), have been obtained using a powder diffractometer in order to determine its three-dimensional structure. The observed peaks index on a monoclinic cell with a=5.444(7), b=6.395(10), c=8.680(5) A, and gamma=99.6(3) degrees , V=298 A3. One 2-fold helix along the c-axis can be accommodated in the unit cell. Molecular and packing models have been analyzed using the seven C-2'-endo/C-3'-endo allomorphs originally proposed by Radha and Chandrasekaran [Carbohydr. Res. 1997, 298, 105]. The generated powder pattern matches closely with the observed diffraction only for one C-2'-endo model. In this structure, the three main chain conformation angles are in the trans domains, there are no intra-chain hydrogen bonds, and the packing arrangement is stabilized by inter-chain O-3-H...O-2 bonds.
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