Extended Data Table 2. X-ray data collection and refinement statistics.
| SID * | lrtAB apo, inward-facing † | |
|---|---|---|
| Data collection | ||
| Space group | P21 | P21 |
| Cell dimensions | ||
| a, b, c (Å) | 52.07, 111.7, 52.20 | 103.06, 78.58, 133.57 |
| α, β Y (°) | 90.000, 119.755, 90.000 | 90.000, 98.204, 90.000 |
| Resolution (Å) | 1.8 (1.864 - 1.8) ‡ | 2.7 (2.797- 2.700) |
| Rsym or Rmerge | 11.06 (68.53) | 11.4 (182.5) |
| I / σ/ | 11.44 (2.94) | 15.03 (1.21) |
| Completeness (%) | 95.20 (97.36) | 99.85 (99.69) |
| Redundancy | 6.2 (6.0) | 6.8 (6.9) |
| Refinement | ||
| Resolution (Å) | 45.32 - 1.80 | 47.43-2.70 |
| No. reflections | 45567 (4678) | 58375 (5791) |
| Rwork / Rfree | 0.2229 / 0.2546 | 0.2565 / 0.2907 |
| No. atoms | ||
| Protein | 3674 | 9674 |
| Ligand/ion | 106 | 34 |
| Water | 520 | 54 |
| B-factors | ||
| Protein | 23.39 | 92.27 |
| Ligand/ion | 15.10 | 107.25 |
| Water | 29.60 | 57.20 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.002 | 0.004 |
| Bond angles (°) | 0.53 | 0.99 |
*
A single crystal was used for the SID structure.
†
A single crystal was used for the IrtAB apo, inward facing structure.
‡
Values in parenthesis are shown for highest resolution shell.