Table 1.
Data collection and structure refinement statistics. Values in parentheses correspond to the highest resolution shell.
| Protein or complex | SCO3201 | SCO3201/spermidine |
|---|---|---|
| PDB ID | 5EFY | 7PT0 |
| Data collection | ||
| Radiation source, beamline | BESSY, BL14.2 | PETRA III, EMBL c/o DESY, P13 |
| Detector | RAYONIX MX‐225 | Pilatus 6M |
| Wavelength (Å) | 0.9184 | 0.9763 |
| Temperature (K) | 100 | 100 |
| Resolution range (Å) | 94.6–2.70 (2.85–2.70) | 61.6–1.89 (2.00–1.89) |
|
Unit cell parameters a, b, c (Å) α, β, γ (°) |
51.79, 98.43, 89.61 90, 100.78, 90 |
55.13, 79.88, 96.87 90, 90, 90 |
| Space group | P21 | P212121 |
| Unique reflections | 23 495 (3916) | 34 934 (5288) |
| Redundancy | 3.0 (2.9) | 6.3 (5.5) |
| Mean I/σ (I) | 7.7 (1.4) | 20.7 (1.1) |
| Completeness (%) | 96.6 (97.7) | 99 (94.1) |
| Rmeas (%) | 6.1 (101.3) | 4.0 (148) |
| Wilson B‐factor (Å2) | 79.1 | 59.5 |
| CC 1/2 | 0.998 (0.279) | 1 (0.53) |
| Refinement | ||
| Rcryst/number of reflections | 0.258/22 236 | 0.204/33 204 |
| Rfree/number of reflections | 0.297/1227 | 0.220/1727 |
| Number of non‐hydrogen atoms, protein/water/ligand | 5309/23/– | 3002/87/10 |
| RMSD bond lengths (Å) | 0.016 | 0.010 |
| RMSD bond angles (°) | 1.58 | 1.60 |
| RMSD torsion angles (°) | 4.68 | 5.29 |
| Ramachandran parameters (%), favoured/allowed/outlier | 99.5/0.5/– | 96.6/2.8/0.6 |
| Average B‐factors (Å2) | 77.6 | 64.6 |