Information card for entry 2021764

Structure parameters

• Chemical name: [Leu^2^]Gramicidin S
• Formula: C65.89 H107.18 N10 O12.7
• Calculated formula: C65.89 H107.18 N10 O12.6997
• Title of publication: [Leu^2^]Gramicidin S preserves the structural properties of its parent peptide and forms helically aligned β-sheets
• Authors of publication: Asano, Akiko; Matsuoka, Shiori; Minami, Chisato; Kato, Takuma; Doi, Mitsinobu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 10
• a: 14.4354 ± 0.0001 Å
• b: 14.4617 ± 0.0001 Å
• c: 28.6558 ± 0.0002 Å
• α: 93.284 ± 0.001°
• β: 101.441 ± 0.001°
• γ: 113.33 ± 0.001°
• Cell volume: 5322.26 ± 0.08 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes