Information card for entry 7123230

Structure parameters

• Chemical name: mtm-saphe-Mg2+
• Formula: C250.29 H340.86 Mg2 N4 O141.24
• Calculated formula: C250.28 H340.822 Mg2 N4 O141.24
• 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: 28.073 ± 0.005 Å
• b: 21.531 ± 0.004 Å
• c: 28.536 ± 0.005 Å
• α: 90°
• β: 104.17 ± 0.03°
• γ: 90°
• Cell volume: 16723 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2076
• Weighted residual factors for all reflections included in the refinement: 0.2318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.97872 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No