Table 1.
Data collection and refinement statistics
| Variable | SAME+ADO+MET+PPNP | SAE bound | PPNP bound |
| Wavelength, Å | 0.92 | 0.92 | 0.92 |
| Detector | Pilatus | Pilatus | Pilatus |
| Space group | I222 | I222 | I222 |
| Unit-cell dimensions (a,b,c), Å | 67.92, 94.07, 117.22 | 68.39, 94.39, 117.39 | 66.11, 95.33, 117.51 |
| Resolution, Å | 73.37–1.10 (1.14–1.10) | 58.7–1.85 (1.90–1.85) | 74.04–2.34 (2.40–2.34) |
| Rmerge, % (last shell) | 8.9 (91.0) | 10.3 (81.4) | 11.6 (59.7) |
| I/σ (last shell) | 24.5 (3.4) | 21.3 (3.4) | 20.7 (3.9) |
| Completeness, % | 99.1 (99.0) | 99.5 (97.5) | 99.9 (99.9) |
| Redundancy | 12.3 (9.7) | 13.3 (12.5) | 13.0 (13.7) |
| No. of reflections | 176,512 | 33,901 | 16,107 |
| Rwork/Rfree | 10.5/12.6 | 13.4/17.7 | 14.8/20.1 |
| No. of atoms | |||
| Protein | 3,290 | 2,972 | 2,876 |
| Ligand/ion | 68/4 | 41/3 | 13/3 |
| Water | 447 | 265 | 161 |
| B factors, Å2 | |||
| Protein | 11.2 | 20.0 | 29.1 |
| Ligands/ions | SAMe/ADO/MET/PPNP/Mg/K | SAE/PPNP/Mg/K | PPNP/Mg/K |
| 7.5/13.3/14.5/10.3/8.5/10 | 22.5/22/21/27 | 32.8/28.5/62 | |
| Water | 24.0 | 29.1 | 32.4 |
| Ramachandran statistics | |||
| Residues in preferred regions | 422 (98%) | 369 (97%) | 354(97%) |
| Residues in allowed regions | 11 (2%) | 12 (3%) | 12 (3%) |
| Outliers | 0 (0%) | 0 (0%) | 0 (0%) |
| rmsd | |||
| Bond length, Å | 0.014 | 0.020 | 0.015 |
| Bond angles, ° | 1.79 | 1.83 | 1.66 |
| PDB ID code | 5A1I | 5A1G | 5A19 |
Values in parentheses are for the highest resolution shell. Each structure was solved using molecular replacement using of human MATα2 as model (PDB ID code 2P02).