TABLE 5.
Data collection and refinement statistics
| Parameter | Value(s)a |
|---|---|
| Data collection statistics | |
| Wavelength (Å) | 1.0000 |
| Resolution range (Å) | 39.3–1.69 (1.75–1.69) |
| Space group | P212121 |
| Unit cell dimensions (a, b, c) (Å) | 63.5, 65.7, 77.5 |
| Mosaicity | 0.53–0.58 |
| Total no. of reflections | 503,743 |
| Unique no. of reflections | 35,564 (3,133) |
| Multiplicity | 14.0 |
| Completeness (%) | 96.9 (86.8) |
| Mean I/σ(I) | 37.3 (1.9) |
| Wilson B factor (Å2) | 13.1 |
| Rmerge | 0.073 |
| Rmeas | 0.075 |
| Structure refinement statistics | |
| Rwork | 0.17 (0.24) |
| Rfree | 0.22 (0.30) |
| Number of nonhydrogen atoms | 2,656 |
| Protein | 2,375 |
| Glycerol | 48 |
| Water | 233 |
| RMSD from ideal values | |
| Bond length (Å)/bond angles (°) | 0.013/1.46 |
| Ramachandran plot | |
| Favored/allowed/outliers (%) | 99.7/0.3/0 |
| Clash score | 3.86 |
| Average B factor (Å2) | 17.80 |
| Protein | 16.20 |
| Glycerol | 36.60 |
| Water | 29.70 |
a
Statistics for the highest-resolution shell are shown in parentheses.