Table 2. Crystallographic statistics for data collection.
Values in parentheses are for the highest resolution shell.
| XFEL MESH | XFEL LCP | XFEL cellulose | |
|---|---|---|---|
| X-ray source | MFX, LCLS | MFX, LCLS | BL2, SACLA |
| Photon energy (keV) | 9.4 | 9.5 | 10 |
| X-ray pulse duration (fs) | ∼50 | ∼45 | ∼10 |
| Photons per pulse | ∼1 × 1012 | ∼2.5 × 1012 | ∼1 × 1011 |
| Repetition rate (Hz) | 10 | 10 | 30 |
| Hit rate (%) | 19 | 20 | 20 |
| Indexing rate (%) | 63 | 30 | 75 |
| No. of images | 18358 | 11821 | 23947 |
| Resolution range | 20.0–1.62 (1.65–1.62) | 20.0–1.65 (1.68–1.65) | 20.0–1.56 (1.58–1.56) |
| Space group | P212121 | P212121 | P212121 |
| Unit-cell parameters | |||
| a (Å) | 43.32 ± 0.11 | 43.10 ± 0.18 | 43.00 ± 0.26 |
| b (Å) | 52.94 ± 0.09 | 52.65 ± 0.13 | 52.60 ± 0.23 |
| c (Å) | 89.87 ± 0.21 | 89.29 ± 0.26 | 89.20 ± 0.37 |
| α = β = γ (°) | 90 | 90 | 90 |
| Total reflections | 5928801 (37371) | 2477563 (11714) | 7874934 (59803) |
| Multiplicity | 224.08 (28.81) | 98.90 (9.63) | 261 (40.5) |
| Completeness (%) | 99.95 (100) | 99.89 (99.92) | 100 (100) |
| Mean I/σ(I) | 5.312 (0.747) | 4.062 (1.076) | 7.91 (1.46) |
| Wilson B factor (Å2) | 20.21 | 19.84 | 24.82 |
| R split (%) | 8.3 (28.4) | 14.9 (54.3) | 7.94 (66.0) |
| CCint (%) | 99.3 (86.5) | 94.5 (56.7) | 99.3 (58.6) |
| Software | cctbx + cxi.merge | cctbx + cxi.merge | CrystFEL |