Introduction of Disorder in the Crystal Structures of Atactic Poly(vinyl Alcohol) and Its Iodine Complex To Solve a Dilemma between X-ray and Neutron Diffraction Data Analyses

2020 ◽  
Vol 53 (15) ◽  
pp. 6656-6671
Author(s):  
Kohji Tashiro ◽  
Katsuhiro Kusaka ◽  
Hiroko Yamamoto ◽  
Makoto Hanesaka
Keyword(s):  
Neutron Diffraction ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Vinyl Alcohol ◽  
Poly Vinyl Alcohol ◽  
Neutron Diffraction Data ◽  
X Ray ◽  
Data Analyses ◽  
Iodine Complex

Design of a novel Peltier-based cooling device and its use in neutron diffraction data collection of perdeuterated yeast pyrophosphatase

2010 ◽  
Vol 43 (5) ◽  
pp. 1113-1120 ◽  
Author(s):  
Esko Oksanen ◽  
François Dauvergne ◽  
Adrian Goldman ◽  
Monika Budayova-Spano
Keyword(s):  
Data Collection ◽  
Neutron Diffraction ◽  
Diffraction Data ◽  
Catalytic Mechanism ◽  
Inorganic Pyrophosphatase ◽  
Neutron Diffraction Data ◽  
Cooling Device ◽  
Data Set ◽  
X Ray ◽  
X Ray Crystallography

H atoms play a central role in enzymatic mechanisms, but H-atom positions cannot generally be determined by X-ray crystallography. Neutron crystallography, on the other hand, can be used to determine H-atom positions but it is experimentally very challenging. Yeast inorganic pyrophosphatase (PPase) is an essential enzyme that has been studied extensively by X-ray crystallography, yet the details of the catalytic mechanism remain incompletely understood. The temperature instability of PPase crystals has in the past prevented the collection of a neutron diffraction data set. This paper reports how the crystal growth has been optimized in temperature-controlled conditions. To stabilize the crystals during neutron data collection a Peltier cooling device that minimizes the temperature gradient along the capillary has been developed. This device allowed the collection of a full neutron diffraction data set.

Molecular Motion in Crystalline Naphthalene:  Analysis of Multi-Temperature X-Ray and Neutron Diffraction Data

2006 ◽  
Vol 110 (41) ◽  
pp. 11695-11703 ◽  
Author(s):  
Silvia C. Capelli ◽  
Alberto Albinati ◽  
Sax A. Mason ◽  
Bertram T. M. Willis
Keyword(s):  
Neutron Diffraction ◽  
Diffraction Data ◽  
Molecular Motion ◽  
Neutron Diffraction Data ◽  
X Ray
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