Information card for entry 1552286

Structure parameters

• Formula: C137.5 H129.25 Cl4 N17.75 O23 S3 Zn2
• Calculated formula: C137.5 H129.25 Cl4 N17.75 O23 S3 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: 38.9929 ± 0.0005 Å
• b: 22.5983 ± 0.0002 Å
• c: 36.9118 ± 0.0006 Å
• α: 90°
• β: 104.464 ± 0.001°
• γ: 90°
• Cell volume: 31494.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2612
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No