Information card for entry 4104609

Structure parameters

• Common name: 2-Acetamido-1,6-anhydro-4-O-benzyl-2-deoxy-3-O- [(1R)-1-(methoxycarbonyl)ethyl]-β-D-glucopyranose
• Formula: C12 H19 N O7
• Calculated formula: C12 H19 N O7
• SMILES: N([C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O)[C@@H]1O[C@H](C)C(=O)OC)C(=O)C
• Title of publication: Bacterial AmpD at the Crossroads of Peptidoglycan Recycling and Manifestation of Antibiotic Resistance
• Authors of publication: Mijoon Lee; Weilie Zhang; Dusan Hesek; Bruce C. Noll; Bill Boggess; Shahriar Mobashery
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8742 - 8743
• a: 6.3338 ± 0.0001 Å
• b: 15.4559 ± 0.0003 Å
• c: 7.2741 ± 0.0002 Å
• α: 90°
• β: 108.775 ± 0.001°
• γ: 90°
• Cell volume: 674.2 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No