Information card for entry 7212498

Structure parameters

• Formula: C158 H275 N41 O45.5
• Calculated formula: C158 H275 N41 O45.5
• Title of publication: Revised electrostatics from invariom refinement of the 18-residue peptaibol antibiotic trichotoxin A50E
• Authors of publication: Dittrich, Birger; Bond, Charles S.; Kalinowski, Roman; Spackman, M. A.; Jayatilaka, Dylan
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2419
• a: 9.49 ± 0.009 Å
• b: 16.85 ± 0.02 Å
• c: 31.68 ± 0.03 Å
• α: 95.77 ± 0.05°
• β: 98.07 ± 0.05°
• γ: 99.45 ± 0.05°
• Cell volume: 4908 ± 9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 3.3171
• Diffraction radiation wavelength: 0.6883 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No