Table 1. X-ray data collection and refinement statistics.
| EMC2•EMC9 | EMC2•EMC9 | |
|---|---|---|
| (S-SAD phasing) | (Molecular replacement) | |
| Data collection | ||
| X-ray source | Diamond I23 | Diamond I03 |
| X-ray wavelength (Å) | 2.7552 | 0.9763 |
| Space group | P212121 | P212121 |
| Unit cell parameters | ||
| a, b, c (Å) | 53.2 82.8 124.0 | 52.6 84.9 122.6 |
| α, β, γ (°) | 90.0 90.0 90.0 | 90.0 90.0 90.0 |
| Resolution range (Å) | 49.6–2.65 (2.78–2.65) | 49.7–2.20 (2.27–2.2) |
| No. of reflections | ||
| Total | 668148 (73113) | 1486886 (128644) |
| Unique | 16468 (2109) | 28668 (2433) |
| Completeness (%) | 99.7 (98.9) | 100.0 (100.0) |
| Multiplicity | 40.6 (34.7) | 51.9 (52.9) |
| I/σ(I) | 36.8 (1.8) | 17.6 (1.9) |
| Rmeas (%) | 6.4 (214.6) | 17.2 (465.7) |
| Rmerge (%) | 6.3 (211.5) | 17.0 (461.3) |
| Rpim (%) | 1.0 (35.3) | 2.4 (63.7) |
| CC1/2 (%) | 100.0 (81.7) | 100.0 (92.6) |
| Refinement | ||
| Rwork/Rfree (%) | - | 20.3/25.0 |
| RMS deviations | ||
| Bond length (Å) | - | 0.007 |
| Bond angle (°) | - | 0.848 |
| No. of atoms | ||
| Protein | - | 3454 |
| Ligands | - | 72 |
| Water | - | 80 |
| Average B-factors (Å2) | ||
| Total | - | 70.6 |
| Protein | - | 71.7 |
| Ligands and waters | - | 65.4 |
| Ramachandran (%) | ||
| Favored | - | 96.4 |
| Outliers | - | 0.0 |
| PDB Code: | - | 6Y4L |
*(*) Values in brackets are for the highest resolution bin.