Table 1.
Refinement and structure statistics for eEF-2K627-725
| Pairwise Cartesian RMS deviation (Å) | ||
|---|---|---|
| All | Core | |
| Global backbone heavy atoms | 3.92 ± 2.12 | 0.93 ± 0.32 |
| Global heavy atoms | 4.56 ± 1.85 | 1.79 ± 0.32 |
| Ordered backbone heavy atoms | 1.18 ± 0.37 | 0.42 ± 0.10 |
| Ordered heavy atoms | 2.08 ± 0.41 | 1.41 ± 0.16 |
| Restraint information | ||
| NOEs: Intra-residue | 530 | 365 |
| NOEs: Sequential (Δ=|i-j|=1) | 317 | 205 |
| NOEs: Medium (5 > Δ=|i-j| ≥2) | 221 | 174 |
| NOEs: Long (Δ=|i-j| ≥5) | 183 | 168 |
| Dihedral angle restraints (ϕ, ψ) | 122 | 98 |
| Inter-vector projection angle restraints | 565 | 565 |
| Hydrogen-bond restraints | 70 | 68 |
| Energies, NOE Statistics | ||
| Total (KCal•mol−1) | −4314 ± 69 | |
| Electrostatic (KCal•mol−1) | −4193 ± 70 | |
| van Der Waals (KCal•mol−1) | −895 ± 10 | |
| Conformers NOEs RMS (Å) | 0.17 ± 0.04 | |
| Ramachandran statistics (%) | ||
| Most favored regions | 82.2 | 90.9 |
| Additionally allowed regions | 15.6 | 7.3 |
| Generously allowed regions | 1.1 | 1.8 |
| Disallowed regions | 1.1 | 0 |
| Average RMS Z-scores for deviation from current reliable structures | ||
| Bond lengths | 0.22 ± 0.01 | 0.20 ± 0.01 |
| Bond angles | 0.38 ± 0.01 | 0.33 ± 0.02 |
| Omega angle restraints (°) | 0.59 ± 0.04 | 0.56 ± 0.06 |
| Side-chain planarity | 0.43 ± 0.12 | 0.46 ± 0.17 |
| Improper dihedral distribution | 0.45 ± 0.09 | 0.47 ± 0.13 |
| Inside/Outside distribution | 1.16 ± 0.03 | 1.06 ± 0.02 |
| Average RMS Z-scores for deviation from current reliable structures | ||
| 1st generation packing quality | −2.48 ± 0.15 | −0.56 ± 0.18 |
| 2nd generation packing quality | −2.84 ± 0.38 | −0.87 ± 0.39 |
| χ1/χ2 rotamer normality | −1.75 ± 0.73 | −1.19 ± 0.69 |
| Backbone conformation | −0.86 ± 0.35 | 1.61 ± 0.25 |