Information card for entry 7003866

Structure parameters

• Formula: C59 H131 N16 O8 Zn2
• Calculated formula: C59 H131 N16 O8 Zn2
• Title of publication: Electron density controlled carbamate ligand binding mode: towards a better understanding of metalloenzyme activity
• Authors of publication: Neuhäuser, C.; Domide, D.; Mautz, J.; Kaifer, E.; Himmel, H.-J.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 14
• Pages of publication: 1821 - 1824
• a: 13.78 ± 0.003 Å
• b: 13.224 ± 0.003 Å
• c: 22.187 ± 0.004 Å
• α: 90°
• β: 96.97 ± 0.03°
• γ: 90°
• Cell volume: 4013.2 ± 1.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No