Information card for entry 2311091

Structure parameters

• Formula: C73 H120 N16 O19.5
• Calculated formula: C73 H120 N16 O19.5
• Title of publication: A natural, single-residue substitution yields a less active peptaibiotic: the structure of bergofungin A at atomic resolution
• Authors of publication: Gessmann, Renate; Axford, Danny; Brückner, Hans; Berg, Albrecht; Petratos, Kyriacos
• Journal of publication: Acta Crystallographica Section F
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 95 - 100
• a: 48.275 ± 0.01 Å
• b: 8.932 ± 0.0018 Å
• c: 24.604 ± 0.005 Å
• α: 90°
• β: 119.72 ± 0.03°
• γ: 90°
• Cell volume: 9214 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.7293 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes