Table 2.
Data collection and refinement statistics
| Spr0694–0695 (PDB 5XU1) | Spr0693 (PDB 5XU0) | |
|---|---|---|
| Data collection | ||
| Space group | C222 1 | P4 1 2 1 2 |
| Cell dimensions | ||
| a, b, c (Å) | 141.05, 154.99, 205.89 | 159.21, 159.21, 99.40 |
| α, β, γ (°) | 90.00 | 90.00 |
| Resolution (Å) | 50.0–3.3 (3.4–3.3)a | 50.00–3.0 (3.1–3.0) |
| Rmerge | 18.5 (85.8) | 9.6 (67.9) |
| I/σ(I) | 13.3 (3.2) | 15.6 (1.6) |
| Completeness (%) | 100 (99.9) | 99.8 (98.8) |
| Redundancy | 13.5 (14.0) | 7.0 (7.0) |
| Refinement | ||
| Resolution (Å) | 50.0–3.3 | 50.0–3.0 |
| No. reflections | 34,560 | 23,899 |
| Rwork/Rfree | 23.4/28.9 | 24.8/30.5 |
| No. of atoms | ||
| Protein | 9,269 | 5,088 |
| Ligand/ion | 2 | 0 |
| Water | 16 | 0 |
| B-factors | ||
| Protein | 84.9 | 101.0 |
| Ligand/ion | 41.5 | |
| Water | 61.2 | |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.008 | 0.004 |
| Bond angles (°) | 1.298 | 0.793 |
aValues in parentheses are for highest-resolution shell
1 crystal was used in the structure of PDB 5XU1; 1 crystal was used in the structure of PDB 5XU0