Table 1.
Data collection, phasing, and refinement statistics
| Native |
Crystal 1 name |
|||
| Data collection | ||||
| Space group | P212121 | P212121 | ||
| Cell dimensions | ||||
| a, b, c (Å) | 84.0, 149.9, 158.5 | 85.4, 149.7, 159.7 | ||
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | ||
| Peak | Inflection | Remote | ||
| Wavelength | 0.9795 | 0.9790 | 0.9794 | 0.9567 |
| Resolution (Å) | 2.90 | 3.05 | 3.05 | 3.15 |
| Rsym or Rmerge | 6.3 (78.7) | 9.6 (56.5) | 7.6 (66.4) | 8.5 (66.2) |
| I/σI | 28.5 (1.4) | 26.7 (3.1) | 20.0 (1.3) | 27.4 (2.5) |
| Completeness (%) | 95.6 (83.0) | 99.9 (99.6) | 99.1 (92.8) | 99.8 (98.9) |
| Redundancy | 7.1 (6.4) | 13.1 (11.2) | 7.1 (5.5) | 11.1 (9.6) |
| Refinement | ||||
| Resolution (Å) | 50–2.90 | |||
| No. reflections | 45,409 | |||
| Rwork/Rfree | 23.1/29.6 | |||
| No. atoms | ||||
| Protein | 11874 | |||
| Ligand/ion | N/A | |||
| Water | 145 | |||
| B factors (Å2) | ||||
| Protein | 97.12 | |||
| Ligand/ion | N/A | |||
| Water | 79.02 | |||
| Rms deviations | ||||
| Bond lengths (Å) | 0.008 | |||
| Bond angles (°) | 1.38 | |||
| Ramachandran | ||||
| Most favored regions (%) | 80.8 | |||
| Additional allowed regions (%) | 15.8 | |||
| Generously allowed regions (%) | 2.3 | |||
| Disallowed regions (%) | 1.2 |
Values in parentheses are for highest resolution shell.