Information card for entry 1552284

Structure parameters

• Formula: C112 H108 Cl4 N14 O22 Zn2
• Calculated formula: C112 H108 Cl4 N14 O22 Zn2
• Title of publication: Metallohelices that kill Gram-negative pathogens using intracellular antimicrobial peptide pathways
• Authors of publication: Simpson, Daniel; Hapeshi, Alexia; Rogers, Nicola J.; Brabec, Viktor; Clarkson, Guy J.; Fox, David; Hrabina, Ondrej; Kay, Gemma; King, Andrew; Malina, Jaroslav; Millard, Andrew; Moat, John; Roper, David I.; Song, Hualong; Waterfield, Nick; Scott, Peter
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 12.3149 ± 0.0004 Å
• b: 40.4691 ± 0.0004 Å
• c: 12.3281 ± 0.0002 Å
• α: 90°
• β: 117.839 ± 0.003°
• γ: 90°
• Cell volume: 5432.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No