Table 3.
Refinement statisticsa
| AdGST1-4 | AdGST1-3 | |
| Number of atoms | ||
| (protein) | 3494 | 9960 |
| (water) | 40 | 641 |
| (GSH) | — | 120 |
| Rfactor | 22.3 (31.1) | 22.3 (28.1) |
| Rfree | 27.1 (37.8) | 23.1 (28.4) |
| Resolution range (Å) | 19.92–2.45 | 17.22–1.75 |
| Reflections in working set | 14264 (1996) | 91965 (17355) |
| Completeness (%) | 94.4 (85.7) | 77.2 (87.1) |
| Reflections in test set | 725 (125) | 4830 (878) |
| Completeness (%) | 5.1 | 5.0 |
| RMS deviation from ideal geometry | ||
| Bond lengths (Å) | 0.007 | 0.006 |
| Bond angles (°) | 1.3 | 1.2 |
| Dihedral angles (°) | 21.4 | 20.7 |
| Improper angles (°) | 0.81 | 0.81 |
| RMSD on Bonded Bs (Å2) | 2.7 | 2.0 |
| Residues in most favorable region | ||
| Of ramachandran plot (%) | 89.1 | 91.3 |
a Numbers in parentheses refer to the highest resolution bin (1.75–1.86 for AdGST1-3, 2.45–2.60 for AdGST1-4).