Information card for entry 4101496

Structure parameters

• Common name: abp02
• Formula: C63 H95 N11 O45.5
• Calculated formula: C63 H95 N11 O45.5
• Title of publication: Beta-turn modified gramicidin S analogues containing arylated sugar amino acids display antimicrobial and hemolytic activity comparable to the natural product.
• Authors of publication: Grotenbreg, Gijsbert M; Buizert, Annelies E M; Llamas-Saiz, Antonio L; Spalburg, Emile; van Hooft, Peter A V; de Neeling, Albert J; Noort, Daan; van Raaij, Mark J; van der Marel, Gijsbert A; Overkleeft, Herman S; Overhand, Mark
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 23
• Pages of publication: 7559 - 7565
• a: 40.8437 ± 0.0003 Å
• b: 40.8437 ± 0.0003 Å
• c: 28.724 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 41497.9 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.1258
• Residual factor for significantly intense reflections: 0.1152
• Weighted residual factors for significantly intense reflections: 0.3249
• Weighted residual factors for all reflections included in the refinement: 0.3391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.629
• Diffraction radiation wavelength: 0.97565 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No