Table 1.
Data collection and refinement statistics of SARS-CoV-2 nsp21-276 (PDB: 7EXM)
| Parameters | Value |
|---|---|
| Data collection | |
| Wavelength (Å) | 0.9793 |
| Space group | P21 |
| Cell dimensions | |
| a,b,c (Å) | 57.93, 159.6, 63.55 |
| α,β,γ (°) | 90, 91.2, 90 |
| Resolution (Å)a | 50.0–1.96 (2.06–1.96) |
| I/σ | 17.9 (2.7) |
| Rmerge | 0.062 (0.673) |
| Completeness (%) | 99.8 (99.7) |
| Total No. of reflections | 555,159 |
| Unique reflections | 82,763 |
| Redundancy | 6.7 (5.8) |
| Refinement | |
| Resolution (Å) | 50.0–1.96 |
| No. of reflections | 75,133 |
| Rwork/Rfree (%) | 19.97/22.56 |
| No. of atoms | |
| Protein | 8406 |
| Ligand/ion | 18 |
| Water | 925 |
| B-factors (Å2) | |
| Protein | 34.26 |
| Ligand/ion | 39.12 |
| Water | 42.08 |
| r.m.s. deviationsb | |
| Bond lengths (Å) | 0.003 |
| Bond angles (º) | 1.29 |
| Ramachandran Plot (%)c | 96.8/3.2/0.0 |
aStatistics for highest resolution shell.
bRoot mean square deviations
cResidues in favored, allowed, and outlier regions of the Ramachandran plot.