Information card for entry 2023162

Structure parameters

• Chemical name: <i>L</i>-Methionyl-<i>L</i>-glycine
• Formula: C7 H14 N2 O3 S
• Calculated formula: C7 H14 N2 O3 S
• Title of publication: Crystal structures of the isomeric dipeptides L-glycyl-L-methionine and L-methionyl-L-glycine
• Authors of publication: Babu, Sainath; Fronczek, Frank R.; Uppu, Rao M.; Claville, Michelle O.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 7
• a: 5.2521 ± 0.0003 Å
• b: 11.4126 ± 0.0007 Å
• c: 16.5403 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 991.43 ± 0.1 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.0251
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No