Table 1.
Data collection and refinement statistics
| Data collection | ||
|---|---|---|
| Beamline | Proxima-1 (SOLEIL – Paris – France) | |
| Wavelength (Å) | 0.9762 | |
| Space group | P 6 | |
| PDB entry | — | 6H7X |
| 347°-wedge | 61°-wedge | |
| Cell dimensions | ||
| a, b, c (Å) | 122.97–122.97–60.84 | 123.02 123.02 60.88 |
| α, β, γ (°) | 90 90 120 | 90 90 120 |
| Resolution (Å) | 106.5–2.80 (2.81–2.80) | 52.86–2.89 (2.94–2.89) |
| Rmerge (%) | 38.6 (125.3) | 11.1 (66.0) |
| Rp.i.m. (%) | 9.2 (44.1) | 6.3 (37.6) |
| <I/σ(I)> | 14.4 (2.6) | 11.3 (2.3) |
| Completeness (%) | 100 (100) | 97.0 (99.7) |
| Redundancy | 16.4 (9.0) | 3.9 (3.9) |
| CC½ (%) | 96.0 (74.3) | 99.6 (77.3) |
| Wilson B factor (Å2) | 53.9 | 50.8 |
| Refinement | ||
| Resolution (Å) | 40.27–2.89 (3.18–2.89) | |
| No. of unique reflections | 11274 | |
| Rwork/Rfree (%) | 20.5/23.7 (26.8/31.2) | |
| No. Atoms | ||
| Protein | 2884 | |
| Water | 40 | |
| B factors (A2) | ||
| Average | 58.4 | |
| Protein | 58.6 | |
| Solvent | 38.31 | |
| r.m.s. deviations | ||
| Bond length (Å) | 0.002 | |
| Bond angles (°) | 0.424 | |
| Ramachandran plot | ||
| Favoured | 97.5 | |
| Outliers | 0.0 | |
| Rotamer outliers (%) | 0.95 | |
| Clashscore | 3.42 | |
| MolProbity score | 1.23 | |
Values in parenthesis refer to the highest resolution shell.