Table 1. X-ray data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Data collection | |
| Source | 5C, PLS |
| Wavelength (Å) | 0.97951 |
| Resolution limits (Å) | 36.18–2.10 (2.17–2.10) |
| Space group | P21 |
| Unit-cell parameters (Å, °) | a = 78.0, b = 36.1, c = 62.5, β = 112 |
| Crystal-to-detector distance (mm) | 250 |
| No. of unique reflections | 37665 |
| Multiplicity | 3.6 (2.3) |
| R merge (%) | 9.9 (22.2) |
| Completeness (%) | 93.4 (86.1) |
| Average I/σ(I) | 18.31 (5.02) |
| Refinement | |
| Resolution range (Å) | 36–2.10 (2.17–2.10) |
| R factor (%) | 18.3 (28.8) |
| R free † (%) | 24.9 (34.9) |
| Average B value (Å2) | 34.0 |
| Wilson B value (Å2) | 25.65 |
| R.m.s.d. for bonds (Å) | 0.008 |
| R.m.s.d. for angles (°) | 1.088 |
| Ramachandran plot | |
| Most favoured (%) | 96.82 |
| Additionally favoured (%) | 2.87 |
| Coordinate error‡ (Å) | 0.27 |
| PDB code | 4pq1 |
†
R free was calculated with 5% of the data set.
‡
Maximum-likelihood estimate