PolySacDb

A Database of Polysachharide 3D structures

 
By A. Sarkar & S. Pérez
 
 
 

Polysaccharides For Experts

Cellulose III1

 

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Diffraction Diagram

 

Fig.1 TOP : synchrotron X-ray diffraction data collected on an on-line MAR image plate from an oriented sample of cellulose III1 on station ID2A at the ESRF, Grenoble France. BOTTOM : a fit of the top pattern obtained during the measurement of the Bragg intensities and background using software that takes into account fiber texture. Comparison of the top and bottom sections indicates the agreement between observed and measured Bragg intensities.

 

Fig.2 TOP : neutron fiber diffraction patterns collected from oriented samples of cellulose III1, one hydrogenated (LEFT-HAND QUADRANT) and the other deuterated (RIGHT-HAND QUADRANT). The BOTTOM QUADRANTS show 3D fits of the Bragg intensities using software that takes into account fiber texture. The images in the Cellulose III1 have been re-mapped into cylindrical reciprocal space with the fiber axis vertical.

*Permission Pending for Diffraction Diagrams

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Structures are best viewed using PyMol & Sybyl

(Please download the structure and view in a stand-alone viewer if the structure appears distorted in Jmol)

 

  Cellulose III1

Linkage :       beta 1-4     

 

Space Group :       monoclinic P21

 

Unit Cell Dimensions (a, b, c in Å and α, β, γ in °)

(No values are displayed if no information is available or the value is zero)

a (Å) =   4.45

b (Å) =   7.85

c (Å) =   10.31

 

γ (°) =   105.10

β (°) =   90.00

α (°) =   90.00

 

Helix Type :      

parallel arrangement, one-chain

 

Method(s) Used For Structure Determination :      

X-ray and neutron fiber diffraction

 

Link to the Abstract :      
 
http://pubs.acs.org/doi/abs/10.1021/ma0485585

 

Reference :      

Cellulose IIII Crystal Structure and Hydrogen Bonding by Synchrotron X-ray and Neutron Fiber Diffraction
Masahisa Wada, Henri Chanzy, Yoshiharu Nishiyama and Paul Langan,Macromolecules 2004, 37, 8548-8555

 

 

Download Structure

Unit          cellulose-III-1_expanded

 

 

 

 

 
   
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