Table 1. Data collection and refinement statistics.
| Datasets: | High-resolution (remote) | Se SAD phasing (peak) |
|---|---|---|
| Data collection | ||
| Beamline | APS 23ID-D | APS 23ID-D |
| Wavelength (Å) | 1.0332 | 0.9793 |
| Space group | P212121 | P212121 |
| Cell dimensions a, b, c (Å) α, β, γ (°) |
49.73, 56.58, 173.88 90, 90, 90 |
49.63, 56.46, 173.87 90, 90, 90 |
| Resolution (Å) | 37.74–1.90 (1.94–1.90) | 49.63–2.50 (2.60–2.50) |
| Total reflections | 159936 (10248) | 175374 (20071) |
| Unique reflections | 39302 (2495) | 17561 (1930) |
| Multiplicity | 4.1 (4.1) | 10.0 (10.4) |
| Completeness (%) | 99.3 (99.1) | 99.1 (98.1) |
| I/σ(I) | 10.3 (1.2) | 21.9 (7.3) |
| CC(1/2) | 0.998 (0.793) | 0.999 (0.982) |
| Rpim | 0.036 (0.575) | 0.024 (0.090) |
| Phasing | ||
| Number of Se sites | 2 | |
| Figure of merit | 0.64 | |
| Refinement | ||
| Rwork/Rfree | 0.170/0.214 | |
| Number of atoms | 3457 | |
| Wilson B factor (Å) | 33.8 | |
| RMS deviations Bonds (Å) Angles (°) |
0.007 1.386 |
|
| Ramachandran plot % favored % allowed % outliers |
97.91 1.83 0 |
|
| PDB ID | 6N67 |
Values in parentheses refer to the highest resolution shell.
The Rfree set consists of 5% randomly chosen data excluded from refinement.