Structure of GlyGly peptide in the crystalline state as studied by X-ray diffraction and solid state 13C-NMR methods

✍ Scribed by T. Kameda; N. Takeda; S. Ando; I. Ando; D. Hashizume; Y. Ohashi

• Publisher: Wiley (John Wiley & Sons)
• Year: 1998
• Tongue: English
• Weight: 140 KB
• Volume: 45
• Category: Article
• ISSN: 0006-3525
• DOI: 10.1002/(sici)1097-0282(19980405)45:4<333::aid-bip7>3.0.co;2-m

✦ Synopsis

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 Å 15.941(2) A ˚, b Å 4.774(2) A ˚, c Å 19.428(2) A ˚and b Å 109.884(7)Њ at 296 K. There are eight GlyGly molecules and six water solvent in the cell. The GlyGly molecules are packed in a parallel b- sheet arrangement. The single crystal was obtained with a maximum size of 10 1 7 1 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 a) by dehydration.