TABLE 2.
Data-collection and relevant statistics (values in parentheses correspond to the shell with the highest resolution).
| AmnE | |
| Data collection | |
| Wavelength (Å) | 0.9789 |
| Beamline | BL19U1 |
| Detector | CCD Pilatus CBF |
| Space group | C121 |
| Unit-cell parameters (Å,°) | a = 170.871, b = 54.781, c = 134.594; α = 90.00, β = 101.89, γ = 90.00. |
| Resolution (Å) | 50.00–1.76 (1.76–1.81) |
| Rmerge(%)† | 90.1 (53.5) |
| Average I/σ(I) | 28.25 (1.94) |
| No. of observed reflections | 234852 (19456) |
| No. of unique reflections | 120742 (9970) |
| Completeness (%) | 99.3 (99.0) |
| Redundancy | 3.4 (3.3) |
| Matthews coefficient (Å3Da–1) | 2.32 |
| Solvent content (%) | 47 |
| Molecules per asymmetric unit | 9 |
| Refinement | |
| Resolution (Å) | 49.511–1.754 |
| Rwork/Rfree | 0.1570/0.1949 |
| Ramachandran favored (%) | 96.56 |
| Ramachandran allowed (%) | 3.44 |
| Ramachandran outliers (%) | 0.00 |
| No. of atoms | |
| Protein | 9628 |
| Ligand | 2 |
| Water | 1042 |
| Wilson B value | 22.69 |
| Root-mean-square deviations | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 0.980 |
†Rmerge = ∑hkl ∑i|Ii(hkl)−⟨I(hkl)⟩|/∑hkl ∑iIi(hkl), where Ii(hkl) is an individual intensity measurement and ⟨I(hkl)⟩ is the average intensity for all reflections.