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Structure of GlyGly peptide in the crystalline state as studied by X‐ray diffraction and solid state 13 C‐NMR methods
Author(s) -
Kameda T.,
Takeda N.,
Ando S.,
Ando I.,
Hashizume D.,
Ohashi Y.
Publication year - 1998
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/(sici)1097-0282(19980405)45:4<333::aid-bip7>3.0.co;2-m
Subject(s) - chemistry , monoclinic crystal system , crystallography , hydrate , aqueous solution , glycylglycine , crystal (programming language) , crystal structure , molecule , x ray crystallography , solvent , diffraction , organic chemistry , glycine , amino acid , biochemistry , physics , optics , computer science , programming language
A new type of crystal of glycylglycine (GlyGly) hydrate was crystallized from an aqueous solution, and the structure of the crystal has been determined by x‐ray diffraction. The crystal is monoclinic, and the space group is C2/c, with the cell constants of a = 15.941(2) Å, b = 4.774(2) Å, c = 19.428(2) Å and β = 109.884(7)° at 296 K. There are eight GlyGly molecules and six water solvent in the cell. The GlyGly molecules are packed in a parallel β‐sheet arrangement. The single crystal was obtained with a maximum size of 10 × 7 × 4 mm and is not stable under atmospheric conditions. The transparent crystal turned to turbid with the elapse of time. The isotropic 13 C chemical shifts obtained from the 13 C cross polarization magic angle spinning nmr experiments reveal that GlyGly hydrate was changed into GlyGly (form α) by dehydration. © 1998 John Wiley & Sons, Inc. Biopoly 45: 333–339, 1998