Information card for entry 4133485

Structure parameters

• Formula: C144 H244 N28 O63
• Calculated formula: C144 H244 N28 O63
• Title of publication: Transition of Metastable Cross-α Crystals into Cross-β Fibrils by β-Turn Flipping.
• Authors of publication: Mondal, Sudipta; Jacoby, Guy; Sawaya, Michael R.; Arnon, Zohar A.; Adler-Abramovich, Lihi; Rehak, Pavel; Vuković, Lela; Shimon, Linda J. W.; Král, Petr; Beck, Roy; Gazit, Ehud
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 1
• Pages of publication: 363 - 369
• a: 8.9084 ± 0.0004 Å
• b: 39.9686 ± 0.0019 Å
• c: 13.1196 ± 0.0006 Å
• α: 90°
• β: 109.252 ± 0.002°
• γ: 90°
• Cell volume: 4410.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No