Table 1.
SARS-CoV-2 nsp9 data collection and refinement statistics
| SARS-CoV-2 nsp9 | |
|---|---|
| Data collection | |
| Resolution (Å) | 2.95 |
| Space group | C2221 |
| Unit-cell parameters (Å, °) | a = 88.7, b = 134.5 c = 167.0, α = β = γ = 90 |
| Resolution (Å) | 50.00–2.95 (3.04–2.95) |
| Rmergea (%) | 22.1 (59.3) |
| Rpimb (%) | 6.6 (17.0) |
| Average I/σ(I) | 11.6 (4.5) |
| No. of observed reflections | 40,346 (3400) |
| No. of unique reflections | 21,270 (1762) |
| Completeness (%) | 99.55 (97.3) |
| Multiplicity | 12.4 (2.3) |
| Matthews coefficient (Å3Da−1) | 3.26 |
| Solvent content (%) | 62.3 |
| Molecules per asymmetric unit | 6 |
| Refinement | |
| Resolution (Å) | 44.49–2.95 |
| Rwork/Rfree | 0.21/0.30 |
| Ramachandran favored (%) | 88.31 |
| Ramachandran outliers (%) | 3.32 |
| No. of atoms | |
| Protein | 4963 |
| Water | 66 |
| Wilson B value | 87.32 |
| Root-mean-square deviations | |
| Bond length (Å) | 0.010 |
| Bond angle (°) | 1.293 |
aRmerge = ∑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 i reflections
bRpim is approximately estimated by multiplying the Rmerge value by the factor [1/(N − 1)]1/2, where N is the overall redundancy of the data set