Table 1. X-ray diffraction data and structure-refinement statistics.
| PDB code | 7wrk | 7wwn | 7wwo |
|---|---|---|---|
| Wavelength (Å) | 1.54 | 1.54 | 1.07 |
| Resolution limits (Å) | 42.13–1.78 (1.82–1.78) | 52.02–2.09 (2.09–2.05) | 70.91–2.17 (2.23–2.17) |
| a, b, c (Å) | 42.18, 42.18, 156.86 | 42.57, 42.57, 156.05 | 90.42, 90.42, 141.71 |
| Space group | P43212 | P43212 | P6122 |
| R merge (%) | 11.3 (20.4) | 12.5 (38.8) | 18.8 (30.68) |
| No. of unique reflections | 14566 | 8938 | 18855 |
| No. of molecules in asymmetric unit | 1 | 1 | 2 |
| Completeness (%) | 100 (100) | 99.9 (81.4) | 100 (100) |
| Multiplicity | 14.2 (13.6) | 22.6 (15.7) | 20.1 (10.8) |
| Mean[(I)/sd(I)] | 12.6 (10) | 22.6 (3.4) | 10.6 (2.7) |
| R cryst/R free (%) | 16/19 | 20/26 | 18/21 |
| R.m.s.d., bond lengths (Å) | 0.0128 | 0.011 | 0.0102 |
| R.m.s.d., bond angles (°) | 1.66 | 1.704 | 1.712 |
| Average B factors (Å2) | |||
| Protein | 13.8 | 11.51 | 44.01 |
| Water | 21.22 | 31.94 | 46.65 |
| Ions | 8.72 | 13.45 | 34.25 |
| Ligands | — | 25.81 | — |
| Ramachandran statistics (%) | |||
| Favored region | 96.84 | 95.48 | 95.86 |
| Allowed region | 1.9 | 3.23 | 2.87 |
| Outliers | 1.27 | 1.27 | 1.27 |