Table 4. Data-collection, processing and refinement statistics.
| Data collection and processing | |
|---|---|
| Beamline | Elettra XRD1 |
| Wavelength (Å) | 0.9717 |
| Unit-cell parameters (Å,°) | 154.3, 154.3, 71.0, 90, 90, 120 |
| Space group | P62 |
| Resolution limits (Å)a | 48.7–2.5 (2.65–2.5) |
| Total reflections | 131076 (19863) |
| Unique observations | 31759 (5191) |
| Multiplicity | 3.9 (3.8) |
| Completeness (%) | 94.8 (96.3) |
| <I/σI> | 5.5 (2.1) |
| Rmerge | 0.211 (0.604) |
| Rmeas | 0.236 (0.679) |
| CC(1/2) | 97.1 (84.3) |
| Wilson B factor | 24.95 |
| Matthews coefficient | 3.48 |
| Molecules per asymmetric unit | 2 |
| Solvent content (%) | 64.7 |
| Refinement and validation | |
| Rwork/Rfree (%) | 16.28/21.81 |
| No. of protein atoms | 4451 |
| No. of water molecules | 229 |
| No. of ligand atoms | 34 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 0.819 |
| Mean B factor | 26.6 |
| Ramachandran outliers (%) | 0 |
| Most favoured residues (%) | 97.9 |
| PDB code | 5K3W |
aValues in parentheses refer to the highest resolution shell.