Information card for entry 4108888

Structure parameters

• Common name: Fe(III) Tren-CAM-(1,2-HOPO)2, K salt
• Formula: C31 H38 Fe K N8 O11
• Calculated formula: C30.998 H31.446 Fe K N7.999 O10.999
• 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: 17.0423 ± 0.0014 Å
• b: 10.1042 ± 0.0008 Å
• c: 20.684 ± 0.0017 Å
• α: 90°
• β: 93.869 ± 0.001°
• γ: 90°
• Cell volume: 3553.6 ± 0.5 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: 0.091
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1868
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No