Information card for entry 7123231

Structure parameters

• Chemical name: mtm-B-Zn2+
• Formula: C416 H544 B8 O257 Zn4
• Calculated formula: C416 H544 B8 O257 Zn4
• Title of publication: How mithramycin stereochemistry dictates its structure and DNA binding function.
• Authors of publication: Hou, Caixia; Rohr, Jürgen; Parkin, Sean; Tsodikov, Oleg V.
• Journal of publication: MedChemComm
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 735 - 741
• a: 18.7382 ± 0.0005 Å
• b: 28.3032 ± 0.0008 Å
• c: 31.3664 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16635.2 ± 0.7 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No