Information card for entry 4101246

Structure parameters

• Formula: C846 H1919 N262 O491 S8.83
• Calculated formula: C849.41 H1342.9 N261.7 O648.31 S12.94
• Title of publication: Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis.
• Authors of publication: Fuhrmann, Cynthia N; Daugherty, Matthew D; Agard, David A
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 28
• Pages of publication: 9086 - 9102
• a: 65.68 ± 0.07 Å
• b: 65.68 ± 0.07 Å
• c: 79.46 ± 0.08 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 296844 ± 515 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.691
• Diffraction radiation wavelength: 0.785 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No