X-ray Structure of Cyclodextrin Glucano-transferase from Alkalophilic Bacillus Sp. 1011. Comparison of Two Independent Molecules at 1.8 Å Resolution

1996 ◽  
Vol 52 (6) ◽  
pp. 1136-1145 ◽  
Author(s):  
K. Harata ◽  
K. Haga ◽  
A. Nakamura ◽  
M. Aoyagi ◽  
K. Yamane
1994 ◽  
Vol 237 (1) ◽  
pp. 163-164 ◽  
Author(s):  
Keiko Haga ◽  
Kazuaki Harata ◽  
Akira Nakamura ◽  
Kunio Yamane

2002 ◽  
Vol 67 (4) ◽  
pp. 479-489 ◽  
Author(s):  
Michal Hušák ◽  
Bohumil Kratochvíl ◽  
Ivana Císařová ◽  
Ladislav Cvak ◽  
Alexandr Jegorov ◽  
...  

Two new structures of semisynthetic ergot alkaloid terguride created by unusual number of symmetry-independent molecules were determined by X-ray diffraction methods at 150 K. Form A (monoclinic, P212121, Z = 12) contains three symmetry-independent terguride molecules and two molecules of water in the asymmetric part of the unit cell. The form CA (monoclinic, P21, Z = 8) is an anhydrate remarkable by the presence of four symmetry-independent molecules in the crystal structure. Conformations of twelve symmetry-independent molecules that were found in four already described terguride structures are compared with torsion angles obtained by ab initio quantum-mechanical calculations for the simplified model of N-cyclohexyl-N'-diethylurea.


1988 ◽  
Vol 52 (7) ◽  
pp. 1855-1856 ◽  
Author(s):  
Hiroyuki TANABE ◽  
Yoshinari KOBAYASHI ◽  
Isao AKAMATSU

1987 ◽  
Vol 51 (3) ◽  
pp. 953-955
Author(s):  
Tetsuo Hamamoto ◽  
Hiroshi Honda ◽  
Toshiaki Kudo ◽  
Koki Horikoshi

1975 ◽  
Vol 53 (23) ◽  
pp. 3596-3598 ◽  
Author(s):  
François Brisse ◽  
Aviva Battat ◽  
Jean-Claude Richer ◽  
Pierre Mazerolles ◽  
Alfreda Faucher

1,1-Dimethyl-1-germa (and-1-sila) -6,7-cycloundecanediol (C12H26O2Ge and C12H26O2Si) are isostructural as established by their X-ray powder patterns. The dimensions of the triclinic cells are as follows: for the silicon derivative, a = 10.53, b = 12.45, and c = 12.43 Å, α = 81.5°, β = 67.0°, and γ = 76.3°; for the germanium derivative, a = 10.56, b = 12.50, and c = 12.58 Å, α = 82.1°, β = 67.8°, and γ = 76.1°. If the space group is [Formula: see text] there will be two independent molecules in each asymmetric unit.


2008 ◽  
Vol 64 (2) ◽  
pp. 249-259 ◽  
Author(s):  
Jan B. van Mechelen ◽  
Rene Peschar ◽  
Henk Schenk

The β_1^{\prime}-2 crystal structures of a series of mixed-chain saturated and trans-mono-unsaturated triacylglycerols containing palmitoyl, stearoyl and elaidoyl acyl chains have been solved from high-resolution powder diffraction data, from synchrotron as well as laboratory X-ray sources. The structures crystallized in the space group I2 with two independent molecules forming a dimer in the asymmetric unit, and packed in double-chain length layers. Unlike the corresponding β-2 structures the solved β_1^{\prime}-2 structures have different molecular conformations for the symmetric and the asymmetric mixed triacylglycerols, both with the sn-2 chain in a leg position of the chair-shaped conformation. A transformation to the β-2 structure with the sn-2 chain in the back position is complicated and unlikely to take place in the solid state. A novel β′-2 polymorph of PSS has been crystallized and its structure has been solved. The melting point (239 K) of this so-called β_0^{\prime}-2 polymorph is 2 K above that of the β_1^{\prime}-2 polymorph and almost equal to that of the β-2 polymorph of PSS. The difference in packing of the β_0^{\prime}-2 versus β_1^{\prime}-2 structure explains the slow β_1^{\prime}-2 to β_0^{\prime}-2 phase transition. The transition is strikingly similar to the β2-3 to β1-3 transition in cis-mono-unsaturated triacylglycerols.


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