Extended Data Table 1 |.
X-ray data collection and refinement statistics
| Crystal A (6B8F) | Crystal B (6B8G) | |
|---|---|---|
| Data collection | ||
| Space group | F432 | F432 |
| Cell dimensions | ||
| a, b, c (Å) | 180.40 | 179.95 |
| α, β,γ (°) | 90 | 90 |
| Resolution (Å) | 63.65–1.06 | 63.62–1.13 |
| Number of unique reflections | 111189 | 92912 |
| Multiplicity | 14.0 (2.4) | 32.2 (13.8) |
| CC1/2 | 0.999 (0.897) | 0.999 (0.628) |
| Rmerge | 0.060 (0.222) | 0.131 (1.131) |
| <l/σl> | 24.8 (3.2) | 19.1 (2.3) |
| Completeness (%) | 99.0 (86.4) | 100 (100) |
| Average mosaicity (°) | 0.17 | 0.31 |
| Total solvent content (%) | 57.42 | 57.36 |
| Interstitial solvent content (%) | 39.72 | 39.62 |
| Refinement | ||
| Rwork/Rfree | 0.0910/0.1026 | 0.1029/0.1213 |
| Number of atoms | ||
| Protein | 1687 | 1699 |
| Ligand/ion | 13 | 13 |
| Water | 340 | 372 |
| B-factors (Å2) | ||
| Protein | 8.51 | 9.81 |
| Ligand/ion | 10.19 | 11.96 |
| Water | 21.83 | 23.75 |
| Root-mean-square deviations | ||
| Bond lengths (Å) | 0.013 | 0.011 |
| Bond angles (°) | 1.317 | 1.241 |
| MolProbity44 score | 1.20 | 1.38 |
| Clashscore | 4.12 | 6.99 |
| Ramachandran plot (%) | ||
| Favoured | 98.82 | 98.82 |
| Outliers | 0.00 | 0.00 |
| Rotamers (%) | ||
| Favoured | 97.35 | 96.88 |
| Poor | 0.53 | 0.52 |
| DPI (Å)45 | 0.011 | 0.015 |
Numbers in parentheses correspond to the highest resolution shell. Rmerge and CC 1/2 are measurements used to determine an appropriate high-resolution limit for XRD data.