Information card for entry 4108887

Structure parameters

• Common name: ferric tren(cam)2(1,2-hopo)
• Formula: C29 H39 Fe K2 N6 O14
• Calculated formula: C29 H31 Fe K2 N6 O15.421
• Title of publication: The Role of Electrostatics in Siderophore Recognition by the Immunoprotein Siderocalin1
• Authors of publication: Trisha M. Hoette; Rebecca J. Abergel; Jide Xu; Roland K. Strong; Kenneth N. Raymond
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17584 - 17592
• a: 18.184 ± 0.002 Å
• b: 12.2234 ± 0.0014 Å
• c: 18.256 ± 0.002 Å
• α: 90°
• β: 103.438 ± 0.002°
• γ: 90°
• Cell volume: 3946.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No