Information card for entry 1575644

Structure parameters

• Chemical name: metal–peptide double helical β-sheet tape (Ile, Val)
• Formula: C36.25 H51 Ag F3.75 N7.62 O10.5 S1.25
• Calculated formula: C36.25 H51 Ag F3.75 N7.625 O10.5 S1.25
• Title of publication: Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.
• Authors of publication: Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 40
• Pages of publication: 18832 - 18837
• a: 25.8746 ± 0.0005 Å
• b: 25.8746 ± 0.0005 Å
• c: 50.6017 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 29338.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 153
• Hermann-Mauguin space group symbol: P 32 1 2
• Hall space group symbol: P 32 2 (0 0 2)
• Residual factor for all reflections: 0.228
• Residual factor for significantly intense reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.2631
• Weighted residual factors for all reflections included in the refinement: 0.2966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No