Table 1.
X-ray data collection parameters and structure refinement statistics
| Parameter | Value |
|---|---|
| Data collection | |
| Beamline | SSRL BL14-1 |
| Space group | P 31 2 1 |
| Unit cell (Å) | 124.05, 124.05, 119.04 |
| Resolution (Å) | 42.95–2.50 (2.54–2.50) |
| Wavelength (Å) | 1.19499 |
| Unique Reflections | 37 514 (1824) |
| Completeness (%)a | 99.9 (98.2) |
| Redundancy | 10.5 (6.3) |
| Rmeas | 0.127 (3.262) |
| Rpim | 0.038 (1.275) |
| CC1/2 | 0.992 (0.170) |
| Average I/σ(I) | 17.1 (0.53) |
| Refinement statistics | |
| Resolution range (Å) | 42.94–2.50 (2.56–2.50) |
| Rcrsyt | 0.129 (0.400) |
| Rfreeb | 0.207 (0.404) |
| R.m.s. deviation from ideality | |
| Bond length (Å) | 0.003 |
| Bond angle (°) | 0.802 |
| Average B factor (Å2) | 78.27 |
| Ramachandran plot: | |
| Preferred (%) | 94.0 |
| Allowed (%) | 4.17 |
| Outlier (%) | 1.9 |
aValues in parentheses are for the highest-resolution shell.
b R free is monitored with 5% of the reflections excluded from the refinement.