Information card for entry 2019361

Structure parameters

• Common name: Gramicidine S
• Formula: C188 H282 F12 N36 O58
• Calculated formula: C188 H282 F12 N36 O58
• Title of publication: Double-stranded helical twisted β-sheet channels in crystals of gramicidin S grown in the presence of trifluoroacetic and hydrochloric acids
• Authors of publication: Llamas-Saiz, Antonio L.; Grotenbreg, Gijsbert M.; Overhand, Mark; van Raaij, Mark J.
• Journal of publication: Acta Crystallographica Section D Biological Crystallography
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: 401 - 407
• a: 41.4764 ± 0.0004 Å
• b: 41.4764 ± 0.0004 Å
• c: 36.2358 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 53984.7 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.1525
• Residual factor for significantly intense reflections: 0.1461
• Weighted residual factors for significantly intense reflections: 0.3849
• Weighted residual factors for all reflections included in the refinement: 0.395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.864
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No