Information card for entry 7212515

Structure parameters

• Common name: L-glutamyl-L-cysteinylglycine
• Chemical name: L-glutamyl-L-cysteinylglycine
• Formula: C10 H17 N3 O6 S
• Calculated formula: C10 H17 N3 O6 S
• SMILES: SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)[O-])[NH3+]
• Title of publication: Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa
• Authors of publication: Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 2587
• a: 5.3033 ± 0.0003 Å
• b: 8.2132 ± 0.0005 Å
• c: 26.874 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1170.6 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.1245
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0006
• Diffraction radiation wavelength: 0.4767 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No