Table 2 SFX data collection and processing statistics for lysozyme
Data Set | Single hit | First hit | Second hit |
|---|---|---|---|
Diffraction source | European XFEL | European XFEL | European XFEL |
Photon Energy (mean value, eV) | 9232 | 9232 | 9232 |
Pulse energy at sample (assuming 50% beamline transmission, µJ) | 290 | 290 | 290 |
Wavelength (Å) | 1.3 | 1.3 | 1.3 |
Temperature (K) | 293 | 293 | 293 |
Detector | 1-megapixel AGIPD | 1-megapixel AGIPD | 1-megapixel AGIPD |
Pulse length (fs) | 50 | 50 | 50 |
Space group | P43212 | P43212 | P43212 |
a, b, c (Å) | 79.30, 79.30, 37.73 | 79.30, 79.30, 37.73 | 79.30, 79.30, 37.73 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
Resolution range (Å) | 21.66-2.10 (2.15-2.10) | 35.49-3.20 (3.28-3.20) | 21.66-2.10 (2.15-2.10) |
Indexed | 10,106 | 962 | 962 |
No. of unique reflections | 7,418 (535) | 2072 (403) | 7,263 (494) |
Completeness (%) | 99.84 (100) | 93.6 (90.79) | 97.75 (92.34) |
Redundancy | 47.24 (28.34) | 4.55 (3.8) | 6.66 (3.98) |
〈 I/σ(I)〉 | 5.1 (4.2) | 4.36 (8.3) | 2.9 (3.1) |
CC1/2 | 0.906 (0.796) | 0.412 (0.638) | 0.615 (0.413) |
CC* | 0.975 (0.942) | 0.764 (0.882) | 0.873 (0.764) |
Overall B factor from Wilson plot (Å2) | 19.58 | 32.8 | 20.4 |
