Information card for entry 7004371

Structure parameters

• Formula: C101 H116 F18 Li N16 O25 P5 Zn8
• Calculated formula: C101 H116 F18 Li N16 O25 P5 Zn8
• Title of publication: A structural and catalytic model for zinc phosphoesterases
• Authors of publication: Buchholz, Rebecca R.; Etienne, Morgan E.; Dorgelo, Anneke; Mirams, Ruth E.; Smith, Sarah J.; Chow, Shiao Yun; Hanton, Lyall R.; Jameson, Geoffrey B.; Schenk, Gerhard; Gahan, Lawrence R.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 6045 - 6054
• a: 16.56 ± 0.003 Å
• b: 40.13 ± 0.002 Å
• c: 19.71 ± 0.003 Å
• α: 90°
• β: 104.92 ± 0.02°
• γ: 90°
• Cell volume: 12657 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• 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: 0.1195
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2384
• Weighted residual factors for all reflections included in the refinement: 0.2491
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No