Information card for entry 1548037

Structure parameters

• Formula: C30 H50 N6 O9
• Calculated formula: C30 H50 N6 O9
• SMILES: O.O=C(N[C@@H]([C@H](O)C)C(=O)N[C@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N)CC(C)C)[C@@H]([NH3+])Cc1ccccc1
• Title of publication: Formation of bacterial pilus-like nanofibres by designed minimalistic self-assembling peptides
• Authors of publication: Tom Guterman; Micha Kornreich; Avigail Stern; Lihi Adler-Abramovich; Danny Porath; Roy Beck; Linda J. W. Shimon; Ehud Gazit
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 13482
• a: 4.9205 ± 0.001 Å
• b: 11.812 ± 0.002 Å
• c: 14.637 ± 0.003 Å
• α: 99.369 ± 0.007°
• β: 93.376 ± 0.007°
• γ: 98.82 ± 0.007°
• Cell volume: 826.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0472
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No