Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Protein | MdfA-VD (hanging-drop vapour diffusion) | MdfA–YN1074-VD (hanging-drop vapour diffusion) | MdfA–YN1074-LCP (lipidic cubic phase method) |
|---|---|---|---|
| Diffraction source | PXI (X06SA), SLS | PXI (X06SA), SLS | PXI (X06SA), SLS |
| Wavelength (Å) | 1.000 | 1.000 | 1.000 |
| Temperature (K) | 100 | 100 | 100 |
| Detector | PILATUS 6M | PILATUS 6M | EIGER 16M |
| Space group | P6522 | P212121 | P6122 |
| a, b, c (Å) | 94.5, 94.5, 663.1 | 76.6, 141.6, 296.6 | 73.2, 73.2, 927.9 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 90 | 90, 90, 120 |
| Resolution range (Å) | 50–7.82 (8.28–7.82) | 50–7.06 (7.48–7.06) | 49–3.40 (3.61–3.40) |
| Total No. of reflections | 39028 | 32684 | 384466 |
| No. of unique reflections | 3376 | 9469 | 22224 |
| CC1/2 (%) | 100 (69.0) | 99.9 (76.5) | 100 (58.3) |
| R meas (%) | 9.7 (122.2) | 6.0 (61.4) | 26.2 (172.4) |
| 〈I/σ(I)〉 | 9.04 (1.65) | 11.49 (2.01) | 11.57 (1.59)† |
| Completeness (%) | 99.1 (98.4) | 98.3 (94.3) | 99.9 (99.9) |
| Multiplicity | 9.97 (9.77) | 3.45 (3.44) | 17.3 (16.03) |
| Mosaicity (°) | 0.229 | 0.286 | 0.097 |
| Solvent content (%) | 74.5 | 71.6 | 68.1 |
| No. of molecules/complexes per asymmetric unit | 2 | 2 | 1 |
†
The I/σ(I) falls below 2.0 at 3.4 Å resolution. The resolution cutoff was determined by the CC1/2 value (Karplus & Diederichs, 2012 ▸), which is 58.3% (our cutoff value is below 50%).