Table 2. Data collection, phasing and refinement statistics.
| TleC SeMet | TleC apo | TleC complex | MpnD apo | MpnD complex | |
|---|---|---|---|---|---|
| Data collection | |||||
| Space group | P212121 | P212121 | P212121 | P212121 | P212121 |
| Cell dimensions | |||||
| a, b, c (Å) | 41.9, 73.9, 110.4 | 42.0, 74.1, 111.0 | 42,4, 74.1, 112.2 | 46.7, 53.7, 132.7 | 46.8, 54.1, 132.2 |
| Resolution (Å) | 50.0–2.1 (2.23–2.11)* | 50.0–1.95 (2.07–1.95)* | 50.0–2.1 (2.22–2.10)* | 50.0–1.6 (1.70–1.60)* | 50.0–1.4 (1.48–1.40)* |
| Rmerge (%) | 10.7 (70.4) | 11.4 (73.5) | 8.4 (51.9) | 4.9 (31.5) | 4.9 (45.2) |
| I/σI | 15.4 (3.3) | 13.4 (3.1) | 22.7 (4.4) | 25.0 (5.8) | 22.8 (4.0) |
| Completeness (%) | 99.4 (96.5) | 99.5 (97.1) | 99.8 (98.6) | 99.6 (98.3) | 99.7 (99.2) |
| Redundancy | 7.7 (7.4) | 7.2 (7.2) | 7.2 (7.1) | 7.2 (7.0) | 6.4 (6.3) |
| Refinement | |||||
| Resolution (Å) | 44.2–2.1 | 44.4–2.0 | 44.7–2.1 | 34.1–1.6 | 41.9–1.4 |
| No. reflections | 20415 | 25878 | 21401 | 44640 | 66871 |
| Rwork/Rfree (%) | 18.8/23.5 | 18.6/23.2 | 18.9/23.7 | 18.0/20.4 | 17.8/20.3 |
| No. atoms | |||||
| Protein | 2606 | 2652 | 2766 | 2791 | 2816 |
| Ligand/ion | — | — | 36 | — | 51 |
| Water | 125 | 224 | 142 | 363 | 429 |
| B-factors | |||||
| Protein | 30.5 | 26.6 | 28.6 | 18.5 | 15.6 |
| Ligand/ion | — | — | 25.1 | — | 20.8 |
| Water | 34.3 | 32.4 | 30.7 | 27.3 | 25.6 |
| Root mean square deviations | |||||
| Bond lengths (Å) | 0.009 | 0.007 | 0.009 | 0.006 | 0.009 |
| Bond angles (°) | 1.211 | 1.032 | 1.182 | 1.127 | 1.247 |
*One crystal was used for data collection. Values in parentheses are for highest-resolution shell.