Table 1. Crystallographic data measured from native crystals.
Values in parentheses are for the highest resolution bin.
| Native 1 | Native 2 | Selenomethionine | |
|---|---|---|---|
| Construct | pb1(794–1396) | pb1(970–1396) | pb1(970–1396) |
| Synchrotron beamline | BL13-XALOC, ALBA | BL13-XALOC, ALBA | I02, DLS |
| Detector | Pilatus 6M | Pilatus 6M | Pilatus 6M |
| Crystal-to-detector distance (mm) | 478 | 434 | 487 |
| Wavelength (Å) | 1.0061 | 1.0061 | 0.9797 |
| No. of images | 180 | 180 | 2400 |
| Oscillation range (°) | 1.0 | 1.0 | 0.10 |
| Space group | P63 | R32 | C2 |
| Unit-cell parameters | |||
| a (Å) | 52.2 | 80.4 | 227.4 |
| b (Å) | 52.2 | 80.4 | 58.2 |
| c (Å) | 299.1 | 80.4 | 69.9 |
| α (°) | 90.0 | 53.7 | 90.0 |
| β (°) | 90.0, | 53.7 | 98.8 |
| γ (°) | 120.0 | 53.7 | 90.0 |
| Resolution range (Å) | 45.2–2.34 (2.47–2.34) | 68.6–2.90 (3.06–2.90) | 56.2–2.52 (2.59–2.52) |
| Unique reflections | 17817 (2641) | 4882 (681) | 30585 (2237) |
| Multiplicity | 2.8 (2.7) | 8.1 (7.9) | 6.3 (6.5) |
| Completeness (%) | 92.0 (92.8) | 100.0 (100.0) | 96.8 (95.8) |
| 〈I/σ(I)〉 | 5.3 (3.8) | 8.4 (2.4) | 11.4 (2.3) |
| R merge † (%) | 17.0 (23.7) | 19.2 (119.9) | 10.0 (64.4) |
| CC Imean | 0.926 (0.760) | 0.991 (0.641) | 0.996 (0.869) |
| CC anom | −0.167 (−0.001) | −0.137 (0.021) | 0.508 (0.059) |
| Wilson B (Å2) | 11.9 | 37.1 | 41.1 |
R
merge =
, where Ii(hkl) is the intensity of the ith measurement of the same reflection and 〈I(hkl)〉 is the mean observed intensity for that reflection.