TABLE 1.
Crystal data and refinement statistics for schistosome eIF4E ternary complex (eIF4E·m7GpppG·4E-BP peptide)
| Data collection | m7GpppG | m7GpppA |
|---|---|---|
| Space group | P21212 | P21212 |
| Cell dimensions | ||
| a (Å) | 45.31 | 45.56 |
| b (Å) | 125.33 | 125.4 |
| c (Å) | 37.33 | 37.34 |
| α, β, γ (°) | α = β = γ = 90° | α = β = γ = 90° |
| Measured reflections | 91,837 | 104,640 |
| Resolutiona | 35.8-1.7 (1.8-1.7) | 41.7-2.0 (2.1-2.0) |
| Rsym or Rmerge | 0.082 (0.472) | 0.113 (0.275) |
| I/σ | 7.8 (2.0) | 6.6 (3.2) |
| Completeness (%) | 94.8 (96.2) | 98.3 (98.1) |
| Redundancy | 4.0 (3.0) | 3.7 (3.7) |
| Refinement | ||
| Resolution (Å) | 1.8 | 2.1 |
| Number of reflections | 17,407 | 13,064 |
| Rwork/Rfree | 23.8/28.9 | 23.6/29.1 |
| Number of atoms | ||
| Protein | 1,516 | 1,495 |
| Peptide | 129 | 123 |
| Ligand | 52 | 51 |
| Water | 112 | 114 |
| B factors (Å2) | ||
| Protein | 22.8 | 19.9 |
| Peptide | 26.4 | 23.3 |
| Ligand | 22.8 | 17.6 |
| Water | 29.8 | 25.6 |
| r.m.s.bdeviations | ||
| Bond length (Å) | 0.011 | 0.009 |
| Bond angles (°) | 1.348 | 1.222 |
| Ramachandran plot | ||
| Residues in most favorable regions (%) | 94.8 | 93.8 |
| Residues in disallowed regions (%) | 0 | 0 |
a Values in parentheses are for the highest resolution shell.
b Root mean square.