Information card for entry 7108999

Structure parameters

• Common name: PEPSEQ A=5 PHE-GLY-ALA-PHE*-LEU
• Chemical name: Phenyl-Glycyl-Alanyl-(α,β-dehydrophenylalanyl)-Leucine dihydrate
• Formula: C29 H41 N5 O8
• Calculated formula: C29 H37 N5 O8
• Title of publication: Conformationally restricted short peptides inhibit human islet amyloid polypeptide (hIAPP) fibrillization
• Authors of publication: Aseem Mishra; Anurag Misra; T. Sri Vaishnavi; Chaitanya Thota; Madhvi Gupta; Suryanarayanarao Ramakumar; Virander Singh Chauhan
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2688
• a: 8.9951 ± 0.0009 Å
• b: 13.0144 ± 0.0012 Å
• c: 27.752 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3248.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No