Information card for entry 1552285

Structure parameters

• Formula: C257 H223.5 Cl6 N26.5 O42 Zn4
• Calculated formula: C257 H223.5 Cl6 N26.5 O42 Zn4
• 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: 19.4539 ± 0.0005 Å
• b: 23.9678 ± 0.0009 Å
• c: 30.5016 ± 0.0015 Å
• α: 90.746 ± 0.003°
• β: 99.035 ± 0.003°
• γ: 90.078 ± 0.002°
• Cell volume: 14044.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1901
• Residual factor for significantly intense reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.246
• Weighted residual factors for all reflections included in the refinement: 0.3181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No