Information card for entry 1575641

Structure parameters

• Chemical name: pentapeptide ligand (Val, Val)
• Formula: C34.75 H52.25 N7.25 O9
• Calculated formula: C34.75 H50.75 N7.25 O9
• 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: 14.238 ± 0.003 Å
• b: 16.076 ± 0.003 Å
• c: 18.83 ± 0.004 Å
• α: 83.96 ± 0.03°
• β: 73.23 ± 0.03°
• γ: 83.06 ± 0.03°
• Cell volume: 4085.2 ± 1.6 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: 0.1348
• Residual factor for significantly intense reflections: 0.1307
• Weighted residual factors for significantly intense reflections: 0.3378
• Weighted residual factors for all reflections included in the refinement: 0.3514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.337
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No