Information card for entry 7112921

Structure parameters

• Formula: C22.85 H25.4 N8 O8.85 Zn
• Calculated formula: C22.85 H25.4 N8 O8.85 Zn
• Title of publication: Inhibition of twisting of a green fluorescent protein-like chromophore by metal complexation.
• Authors of publication: Baldridge, Anthony; Solntsev, Kyril M.; Song, Charles; Tanioka, Tatsuro; Kowalik, Janusz; Hardcastle, Kenneth; Tolbert, Laren M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 31
• Pages of publication: 5686 - 5688
• a: 15.4288 ± 0.0011 Å
• b: 7.6422 ± 0.0006 Å
• c: 22.522 ± 0.002 Å
• α: 90°
• β: 90.335 ± 0.006°
• γ: 90°
• Cell volume: 2655.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No