TABLE 1.
Data collection and refinement statistics
| Parametera | Value(s) for Se-Met-labeled nsp1b |
|---|---|
| Data collection | |
| Space group | P1 21 1 |
| Cell dimensions | |
| a, b, c (Å) | 34.71, 75.05, 37.36 |
| α, β, γ (°) | 90.00, 89.96, 90.00 |
| Wavelength | 0.97917 |
| Resolution range (Å) | 31.50–1.25 |
| Completeness (%) | 99.2 (99.2) |
| Rmerge (last shell) | 0.05 (0.509) |
| I/σ (last shell) | 29.57 (4.33) |
| Redundancy (last shell) | 3.9 (3.8) |
| Refinement | |
| Resolution (Å) | 31.50–1.25 |
| Rwork/Rfree | 17.2/19.3 |
| No. of: | |
| Reflections | 52,517 |
| Protein atoms | 1,836 |
| Solvent atoms | 348 |
| Ions/ligands | 0 |
| RMSD | |
| Bond length (Å) | 0.006 |
| Bond angle (°) | 0.991 |
| B factor (Å2) | 17.35 |
| Ramachandran plot (%) | |
| Core | 97.40 |
| Allow, disallow | 2.60, 0.00 |
a
Rmerge = ∑∑|Ih − 〈I〉|/∑∑Ih, where Ih is the intensity measurement of reflection h and 〈I〉 is the average intensity from multiple observations. Rwork = ∑||Fo| − |Fc||/∑|Fo|, where Fo and Fc are the observed and calculated structure factors, respectively. Rfree is equivalent to Rwork, but 5% of the measured reflections have been excluded from the refinement and set aside for cross-validation.
b
The highest-resolution values are indicated in parentheses.