Table 3.
Crystallographic data.
| eIF4E:4G:7a (PDB 5EI3) | eIF4E:4G:7a back-soak (PDB 5EIR) | eIF4E:4EBP:4a (PDB 5EKV) | eIF4E:4G:4f PDB 5EHC) | |
|---|---|---|---|---|
| Data collection | ||||
| Resolution (Å) | 1.71 | 2.69 | 3.61 | 2.40 |
| Space group | P21221 | P21221 | P212121 | P21221 |
| Unit cell (Å) | ||||
| a | 38.6 | 38.3 | 38.5 | 38.5 |
| b | 52.1 | 52.2 | 100.8 | 52.2 |
| c | 125.2 | 123.7 | 136.5 | 125.7 |
| Unique reflectionsa | 28165 (4039) | 6814 (854) | 6413 (889) | 10425 (1466) |
| Completeness (%)a | 100 (100) | 93.8 (85.8) | 97.8 (95.5) | 99.7 (99.7) |
| Rmerge (%)a | 9.4 (34.2) | 16.0 (35.9) | 28.2 (42.3) | 19.2 (33.9) |
| I/σa | 15.7 (5.3) | 5.5 (3.0) | 4.6 (3.1) | 8.9 (5.3) |
| Refinement | ||||
| R (%) | 16.6 | 24.8 | 26.8 | 21.8 |
| Rfree (%) | 18.7 | 27.2 | 34.1 | 26.4 |
| Mean temperature factor B (Å2)b | ||||
| eIF4E | 14.1 | 24.7 | 17.1/20.8e | 19.4 |
| 4G/4EBP | 14.0 | 28.1 | 17.5/18.8e | 19.2 |
| Ligand | 22.1 | 38.5 (36.9)d | 18.4/24.1e | 42.4 |
| SO4 | 29.5 | (46.1)d | – | – |
| Occupancy (%)b | ||||
| Ligand | 1.0 | 0.52 (0.48)d | 0.88/0.74e | 1.0 |
| SO4 | 1.0 | 0.48 | – | – |
| All atoms used in refinement | 2103 | 1790 | 3265 | 1846 |
| Water | 355 | 32 | 0 | 139 |
| Validationc (% of all residues) | ||||
| Favoured | 98.0 | 99.0 | 97.8 | 97.9 |
| Allowed | 100.0 | 100.0 | 100.0 | 100.0 |
| Disallowed | 0.0 | 0.0 | 0.0 | 0.0 |
a
Values in parentheses refer to the highest-resolution shell.
b
B-factor and occupancy refinement were performed using Phenix.
c
Validation was performed using MolProbity.
d
Values in parenthesis refer to the lowest occupancy model.
e
Values for both copies in the asymmetric unit.