Table 1.
Data collection and refinement statistics.
| Resolution Range | 32.78–2.49 (2.58–2.49) |
|---|---|
| Space group | P 63 |
| Unit cell | 100.13 100.13 137.43 90 90 120 |
| Total reflections, unique reflections | 539,035 (43,095), 27,088 (1673) |
| Multiplicity | 19.9 (16.5) |
| Completeness (%) | 86.53 (61.47) |
| Mean I/sigma (I) | 15.40 (0.64) |
| Wilson B-factor | 75.69 |
| R-merge, R-meas, R-pim | 0.1509 (4.187), 0.1549 (4.319), 0.03468 (1.045) |
| Correlation coefficient, CC1/2, CC | 0.999 (0.556), 1 (0.845) |
| Reflections used in refinement and for R-free | 23,592 (1672), 1230 (103) |
| Reflections used | |
| R-work, R-free | 0.2457 (0.4856), 0.3080 (0.5417) |
| CC (work), CC (free) | 0.895 (0.077), 0.855 (0.192) |
| Number of non-hydrogen atoms | 5280 |
| Macromolecules, ligands, solvent | 5275, 2, 3 |
| Protein residues | 668 |
| Root-mean square (bonds, angles) | 0.005, 0.98 |
| Ramachandran favored, allowed, outliers (%) | 92.75, 7.1, 0.15 |
| Rotamer outliers (%) | 0 |
| Clash score | 23.11 |
| Average B-factor | 100.99 |
| Macromolecules, ligands, solvent | 101.01, 93.91, 66.24 |
| Number of translation/libration/screw (TLS) groups | 1 |
Statistics for the highest-resolution shell are shown in parentheses.