Table 1.
Data collection and processing parameters for DAF crystals
| Data set 1 | Data set 2 | Data set 3 | |
| Collection parameters | |||
| Detector | ADSC Q4 CCD | ADSC | MAR345 |
| Source | ESRF beamline ID14-2 | Daresbury beamline 9.6 | Inhouse Rigaku RU200H rotating |
| Oscillation angle (°) | 1 | 1.5 | 1 |
| Crystal to detector | 220 | 200 | 260/170 |
| Exposure time (sec) | 45 | 90 | 600/1200 |
| Wavelength (Å) | 0.933 | 0.870 | 1.542 |
| Processing parameters | |||
| Unit cell parametersa | 53.1, 51.9, 64.1 | 46.7, 55.1, 61.8, 88.8 | 46.7, 55.1, 61.6, 88,8 |
| Space group | P1 | P1 | P1 |
| Resolution range (outer) | 39.5–2.8 (2.9–2.8) | 16.0–2.2 (2.32–2.2) | 17–2.3 (2.42–2.3) |
| Observed reflections | 232,001 | 543,567 | 722,760 |
| Unique Reflections | 14,573 | 26,342 | 23,375 |
| Completeness (outer) | 99.0 (98.4) | 93.5 (93.1) | 94.4 (92.0) |
| Rmergeb (outer shell) | 13.5 (38.8) | 9.6 (36.3) | 8.3 (16.4) |
| I/σI (outer shell) | 15.4 (3.5) | 6.3 (1.9) | 6.1 (4.0) |
a Dimensions a, b, c given in Å, and α, β, γ given in degrees.
b
Ih is the weighted mean measured intensity of the observations Ihi in which the intensities of the symmetry related reflections, which should be the same, are compared. Rmerge (I) gives an estimate of their disagreement.