Table 1.
Statistics of x-ray diffraction data collection and structure refinement
| Data set | W100 | Q100 | W160 | Q160 |
|---|---|---|---|---|
| Redundancy | 4.4 | 5.2 | 4.4 | 3.7 |
| No. unique reflections | 27870 | 27233 | 28255 | 27513 |
| Completeness, % | 99.9 | 99.9 | 99.9 | 99.9 |
| I/σ | 10.4 | 10.8 | 10.1 | 8.4 |
| Unit cell, Å: a = b | 132.812 | 131.682 | 133.397 | 132.286 |
| C | 134.972 | 134.108 | 135.610 | 134.741 |
| B factor, Å2 | 77.9 | 60.45 | 81.0 | 62.50 |
| Refinement resolution, Å | 20–3.0 | 20–3.0 | 20–3.0 | 20–3.0 |
| R factor, % | 25.2 | 24.3 | 25.6 | 24.1 |
| Free R factors, % | 29.6 | 28.4 | 30.6 | 30.1 |
Space group of both crystals is P321. Each crystal has 83% solvent content. The crystal structures contain a dimer of 224 and 220 residues for the Q mutant and wild-type domain, respectively. Data were cut off at 3σ for refinement.