Table 1. Data Collection and Refinement Statistics.
| Structure | FimX-EAL apo | FimX-EAL bound to 5′-pGpG native |
| Space Group | P212121 | P43212 |
| Unit Cell | a = 64.530 Å b = 87.660 Å c = 108.240 Å α = β = γ = 90° | a = 104.33 Å, b = 104.33 Å, c = 154.24 Å α = β = γ = 90° |
| X-ray source | SOLEIL (PROXIMA 1) | SOLEIL (PROXIMA 1) |
| Wavelength (Å) | 0.9793 | 0.9793 |
| Resolution (Å) | 40.6–2.304 (2.44–2.30) | 43.20–2.01 (2.06–2.01) |
| Measured reflections (#) | 101179 | 571503 |
| Unique reflect. (#) | 27791 | 57230 |
| Data redundancy | 3.6 (2.7) | 13.6 (8.7) |
| Completeness (%) | 99.0 (98.2) | 99.9 (99.5) |
| Rsym (%) | 4.0 (43) | 6.0 (35.4) |
| I/σI | 22.21 (3.13) | 14.6 (2.0) |
| Refinement Statistics | ||
| Phasing | Molecular Replacement | Molecular Replacement |
| Molecules/AU | 2 (no NCS applied) | 2 (no NCS applied) |
| Rwork/Rfree (%) | 20.9/28.4 | 20.85/23.9 |
| Free R test set size (/#%) | 1357/5 | 2890/5 |
| Number of protein atoms | 3897 | 3912 |
| Number of hetero-atoms | 134 | 365 |
| Mean B-factors (Å2) main chain | 55.3 | 39.6 |
| Mean B-factors (Å2) side chains and waters | 58.8 | 45.8 |
| Rmsd bond length (Å) | 0.015 | 0.014 |
| Rmsd bond angles (°) | 1.551 | 1.407 |
| Rmsd planes (Å) | 0.008 | 0.007 |
| Ramachandran most | 95.75 | 97.98 |
| Ramachandran additional | 4.25 | 2.02 |