Table 1. Data Collection and Refinement Statistics.
| PTP1B T177G (ligand-free) | PTP1B T177G (VO4) | YopH G352T (ligand-free) | YopH G352T (VO4) | |
|---|---|---|---|---|
| PBD ID | 7L0C | 7L0H | 7L0I | 7L0M |
| Data Collection | ||||
| source | SSRL 9-2 | SSRL 9-2 | SSRL 9-2 | SSRL 9-2 |
| space group | P3121 | P3121 | P212121 | P212121 |
| Cell dimensions | ||||
| a, b, c (Å) | 88.506, 88.506, 104.432 | 88.471, 88.471, 104.979 | 49.183, 56.351, 98.513 | 49.231, 56.091, 98.302 |
| α, β, γ (deg) | 90, 90, 120 | 90, 90, 120 | 90, 90, 90 | 90, 90, 90 |
| resolution (Å) | 43.2–1.80 | 43.3–2.10 | 49.2–2.02 | 49.2–2.00 |
| (1.86–1.80) | (2.18–2.10) | (2.10–2.02) | (2.10–2.00) | |
| CC1/2 | 0.699 | 0.632 | 0.467 | 0.796 |
| I/σI | 31.5 (0.9) | 29.8 (1.3) | 22.2 (14.5) | 88.1 (8.6) |
| completeness (%) | 99.9 (100.0) | 100.0 (100.0) | 94.3 (79.6) | 95.7 (81.0) |
| redundancy | 18.9 (14.8) | 18.6 (14.1) | 5.5 (3.0) | 7.7 (5.0) |
| no. reflections | 44,193 (4324) | 28,286 (2773) | 17,623 (1437) | 18,269 (1520) |
| Refinement | ||||
| Rwork/Rfree | 0.163/0.175 | 0.178/0.208 | 0.202/0.253 | 0.178/0.226 |
| no. atoms | ||||
| protein | 2390 | 2425 | 2117 | 2153 |
| ligand/ion | 0 | 5 | 15 | 5 |
| water | 293 | 147 | 148 | 145 |
| β-factors | ||||
| protein | 28.9 | 49.5 | 34.9 | 32.3 |
| ligand/ion | 39.4 | 42.0 | 28.2 | |
| solvent | 39.8 | 49.9 | 35.8 | 35.7 |
| rms deviations | ||||
| bond lengths (Å) | 0.007 | 0.009 | 0.007 | 0.008 |
| bond angles (deg) | 0.97 | 1.17 | 0.93 | 1.11 |
| Ramachandran | ||||
| favored (%) | 97.3 | 97.6 | 96.4 | 96.4 |
| allowed (%) | 2.4 | 2.0 | 3.2 | 3.2 |
| outliers (%) | 0.3 | 0.3 | 0.4 | 0.4 |