Information card for entry 2202275

Structure parameters

• Chemical name: (S)-2-Hydroxy-3-methylbutanoyl-L-alanyl-L-proline benzyl ester
• Formula: C20 H28 N2 O5
• Calculated formula: C20 H28 N2 O5
• Title of publication: A peptide sequence containing a hydroxy acid residue: (<i>S</i>)-2-hydroxy-3-methylbutanoyl-<small>L</small>-alanyl-<small>L</small>-proline benzyl ester (H‒<small>L</small>-Hmb‒<small>L</small>-Ala‒<small>L</small>-Pro‒OBzl)
• Authors of publication: Oku, Hiroyuki; Shichiri, Kazuaki; Yamada, Keiichi; Katakai, Ryoichi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1413 - o1415
• a: 5.8977 ± 0.0007 Å
• b: 10.1767 ± 0.0016 Å
• c: 16.941 ± 0.002 Å
• α: 90°
• β: 94.394 ± 0.01°
• γ: 90°
• Cell volume: 1013.8 ± 0.2 ų
• Cell temperature: 173.1 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 significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes