Table 4.
Data collection and refinement statistics.
| Data Collection | |
| Wavelength [Å] | 0.98 |
| Space group | P212121 |
| Unit cell dimensions a, b, c [Å] | 108.34, 121.83, 161.37 |
| Resolution range [Å] a | 48.18–2.25 (2.37–2.25) |
| Rmerge (%) b | 0.093 (0.57) |
| I/σI | 17.5 (3.0) |
| Observations Total Unique |
733102 (89732) 101836 (14698) |
| Completeness | 99.9 (100.0) |
| Redundancy | 7.2 (6.1) |
| CC1/2 | 0.99 (0.81) |
| Refinement Statistics | |
| Rwork/Rfree (%) c | 0.20/0.25 |
| No. of atoms: | 15009 |
| Protein | 14307 |
| Ligands | 60 |
| Metal Ions | 4 |
| Solvent | 638 |
| B value (Å2) | 34.0 |
| RMSD bond lengths (Å) | 0.006 |
| RMSD bond angles (°) | 0.898 |
| Ramachandran favored (%) | 98.73 |
| Ramachandran allowed (%) | 1.11 |
| Ramachandran outliers (%) | 0.16 |
| PDB code | 7R6Y |
a Statistics for the highest resolution shell is shown in parenthesis. b Rmerge = ΣhklΣi |Ii(hkl)–<I(hkl)> | /ΣhklΣi Ii(hkl) c Rfree was calculated from a subset of reflections (4.9%), which were not used during refinement.