TABLE 1.
Data collection and refinement statistics
| Parameter | Value |
||
|---|---|---|---|
| Infection | Peak | High-remote | |
| Data collection | |||
| Cells a, b, c (Å) | 40.36, 185.24, 230.26 | 40.37, 185.28, 229.98 | 40.38, 185.22, 229.93 |
| Space group | C2221 | ||
| Wavelength (Å) | 0.97939 | 0.97898 | 0.96416 |
| Resolution (Å) | 40-2.80 (2.90-2.80)a | 40-2.80 (2.90-2.80) | 40-2.80 (2.90-2.80) |
| Measured no. of reflections | 284,443 | 255,595 | 271,269 |
| No. of unique reflections | 22,101 | 22,427 | 22,005 |
| Completeness (%) | 98.9 (92.6) | 97.8 (88.8) | 97.9 (88.1) |
| Redundancy (%) | 7.0 (5.5) | 6.3 (4.4) | 6.8 (5.1) |
| Rsymb | 0.068 (0.182) | 0.075 (0.220) | 0.079 (0.221) |
| Mean I/σ(I) | 35.4 (7.5) | 34.3 (7.1) | 42.4 (11.9) |
| Refinement | |||
| Rwork/Rfreec | 0.261/0.294 | ||
| No. of atoms | 2,129 | ||
| No. of protein atoms | 1,438 | ||
| No. of nucleic acid atoms | 609 | ||
| Water and ion | 84 | ||
| B factors (A2) | |||
| Protein (subunit A, subunit B) | 74.5, 97.0 | ||
| Nucleic acid (strand C, strand D) | 49.5, 47.1 | ||
| Water and ion | 46.4 | ||
| Root mean square deviations | |||
| Bond length (Å) | 0.013 | ||
| Bond angle (°) | 1.4 | ||
a
The highest-resolution shell is shown in parentheses.
b
Rsym = (Σ|I − <I>|/ΣI), where I is the observed intensity and <I> is the average intensity of symmetry-related reflections.
c
Rwork = Σ||Fo| − |Fc||/Σ|Fo|, where Fo and Fc are the observed and calculated structure factors, respectively. Rfree is the R value calculated for a subset of 10% of randomly selected reflections not used in the refinement.