Table 1.
Crystallographic data and refinement statistics
| Native Apo TTLa | Apo TTL (SeMet)a | TTL:AMPPNPa | TTL:ADPa | ||
|---|---|---|---|---|---|
| Data collection | |||||
| Space group | C2 | C2 | P21 | C2 | |
| Cell dimensions | |||||
| a, b, c (Å) | 116.6, 76.2, 44.2 | 116.6, 76.2, 44.2 | 116.6, 76.2, 44.2 | 44.4, 74.6, 117.3 | 117.0, 75.7, 44.2 |
| α, β, γ (°) | 90, 90.6, 90 | 90, 90.6, 90 | 90, 90.6, 90 | 90, 90.1, 90 | 90, 90.8, 90 |
| Inflection | Remote | ||||
| Wavelength | 0.9806 | 0.9637 | |||
| Resolution (Å) | 50.0-2.5 (2.54–2.5) | 50-2.6 (2.6–2.5) | 50.0-2.24 (2.28–2.24) | 30-2.5 (2.54–2.50) | 30-2.9 (2.95–2.9) |
| Rsym | 6.1 (33.3) | 5.3 (32.5) | 5.0 (32.9) | 7.4 (38.0) | 5.8 (22.6) |
| I / σI | 52 (5) | 23 (2) | 28 (2) | 37.3 (4.5) | 29 (5) |
| Completeness (%) | 99.9 (99.8) | 98.7 (88.7) | 92.2 (51.0) | 99.1 (98.5) | 98.7 (95.9) |
| Redundancy | 7.0 (5.8) | 2.3 (2) | 3.6 (2.4) | 7.4 (6.9) | 3.7 (3.5) |
| Refinement | |||||
| Resolution (Å) | 50.0–2.5 | 30–2.5 | 30–2.9 | ||
| No. reflections | 12946 | 26356 | 8195 | ||
| Rwork / Rfree | 24.9/29.8 | 25.4/28.5 | 23.2/31.3 | ||
| No. atoms | |||||
| Protein | 2395 | 4850 | 2442 | ||
| Ligand/ion | 0 | 62/7 | 27/3 | ||
| Water | 36 | 30 | 2 | ||
| B-factors | |||||
| Protein | 73.5 | 65.9 | 71.3 | ||
| Ligand/ion | 51 | 88.9/42.8 | 115.9/44.6 | ||
| Water | 63 | 49.8 | 43.8 | ||
| R.m.s deviations | |||||
| Bond lengths (Å) | 0.0084 | 0.0078 | 0.0085 | ||
| Bond angles (°) | 1.32 | 1.31 | 1.35 | ||
Data were collected on a single crystal for each dataset.
a
Values in parentheses are for highest-resolution shell.