Table 1. X-ray diffraction data-processing and model-refinement statistics.
Values in parentheses are for the highest resolution shell.
| Data collection | |
| X-ray source | ID23-2, ESRF |
| Wavelength (Å) | 0.873130 |
| Space group | C2 |
| a, b, c (Å) | 113.07, 54.71, 44.84 |
| α, β, γ (°) | 90.00, 101.30, 90.00 |
| Resolution range (Å) | 55.44–1.58 (1.61–1.58) |
| R merge | 0.070 (1.305) |
| R meas | 0.081 (1.505) |
| R p.i.m. | 0.040 (0.739) |
| Total No. of observations | 145297 (7276) |
| No. of unique observations | 36653 (1847) |
| Mean I/σ(I) | 9.2 (1.0) |
| CC1/2 (%) | 99.8 (35.7) |
| Completeness (%) | 99.4 (99.5) |
| Multiplicity | 4.0 (3.9) |
| Wilson B estimate (Å2) | 23.7 |
| Refinement | |
| Resolution range (Å) | 55.44–1.58 |
| R work/R free (%) | 17.71/20.31 |
| No. of atoms | |
| Protein | 2350 |
| Water | 218 |
| B factors (Å2) | |
| Protein | 32.6 |
| Water | 43.1 |
| R.m.s.d. | |
| Bond lengths (Å) | 0.008 |
| Bond angles (°) | 0.868 |
| Coordinate error (maximum-likelihood-based by Phenix) (Å) | 0.21 |
| Ramachandran statistics | |
| Favored (%) | 97.99 |
| Allowed (%) | 2.01 |
| Outliers (%) | 0.00 |
| PDB code | 7nij |
| Ensemble refinement | |
| No. of models | 60 |
| R work /R free (%) | 15.47/20.80 |