Table 2.
Data collection and refinement statistics
| Data collection | |
| Space group | P21 |
| Unit-cell parameters (Å; °) | a = 58.45, b = 45.82, c = 63.49; β = 111.1 |
| X-ray source | XRD1, Elettra |
| Wavelength (Å) | 0.91 |
| Resolution (Å) | 45.82–1.25 (1.27–1.25) |
| R merge (%) | 7.0 (87.3) |
| R meas (%) | 7.8 (97.0) |
| R merge in top intensity bin (%) | 3.2 |
| Number of observations | 471,404 (22,651) |
| Number unique | 86,589 (4,286) |
| Mean [I/σ(I)] | 12.5 (1.9) |
| Mean (I) half-dataset correlation CC(1/2) | 0.999 (0.734) |
| Completeness (%) | 99.8 (100) |
| Multiplicity | 5.4 (5.3) |
| Refinement | |
| Resolution (Å) | 36.24–1.25 |
| R work/R free (%) | 13.6/17.0 |
| Mean B-factors (Å2) | |
| Protein | 19.1 |
| TDB (ligand) | 29.8 |
| Water molecules | 27.8 |
| Ramachandran plot (MolProbity) | |
| Favored | 97.63 % |
| Allowed | 2.37 % |
| Outliers | 0 % |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 1.15 |
| PDB entry | 4KWP |
Numbers in parenthesis refer to the highest-resolution shell