The crystal structure of the oxidized form of the tripeptide glutathione (g
amma-L-glutamyl-L-cystylglycine octahydrate, C20H32N6O12S2. 8H(2)O) has bee
n determined at 100 K. The molecule was crystallized from aqueous solution
in the presence of the precipitating agent polyethylene glycol by the vapor
-diffusion method, which is commonly used in protein crystallization. The s
pace group is P2(1)2(1)2 and the molecule contains a crystallographic twofo
ld symmetry axis through the middle of the disulfide bridge. There are four
water molecules per tripeptidc, two of which are disordered. The S-S and S
-C bond lengths are 2.0387(9) and 1.8098(19) Angstrom, respectively and the
C-S-S bond andle is 105.03(6)degrees.