Information card for entry 1569406

Structure parameters

• Common name: L-Methionyl L-tyrosine monohydrate
• Chemical name: L-Methionyl-L-tyrosine monohydrate
• Formula: C14 H22 N2 O5 S
• Calculated formula: C14 H22 N2 O5 S
• Title of publication: L-Methionyl-L-tyrosine monohydrate
• Authors of publication: Babu, Sainath; Claville, Michelle O.; Fronczek, Frank R.; Uppu, Rao M.
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 6
• a: 5.4826 ± 0.0003 Å
• b: 12.4971 ± 0.0007 Å
• c: 23.5451 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1613.23 ± 0.15 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 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: 0.0271
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No