Table 1.
XFEL diffraction data sets used in this study
| Myoglobin | Clostridium pasteurianum hydrogenase | Thermolysin | |
|---|---|---|---|
| Space group | P6 | P42212 | P6122 |
| Resolution used (Å) | 20.0–1.35 | 45.0–1.60 | 50.0–2.10 |
| Unit cell dimensions (Å) | a = b = 90.8, c = 45.6 | a = b = 111.2, c = 103.8 | a = b = 92.7, c = 130.5 |
| No. of unique reflections | 46,555 | 85,273 | 19,995 |
| No. of images* indexed | 757 | 177 | 12,692 |
| No. of images with spots to resolution used | 307 | 75 | 1957 |
| Average no. of spots on an image (to resolution used) | 1628 | 3640 | 352 |
| Energy spectrum | SASE† | SASE† | SASE† |
| Detector | Rayonix MX325HE | Rayonix MX325HE | CSPAD‡ |
| Sample delivery method | fixed target | fixed target | Electrospun jet |
This is the number of images indexed using cctbx.xfel program, and in the case of thermolysin it is the number of images indexed for one of the two wavelengths.
SASE: self-amplified spontaneous emission.
CSPAD: Cornell-SLAC pixel array detector.