Table 1.
Data collection, phasing, and refinement statistics
| Vβ17C5-1YS | ||||
| Vβ17SF4 Native | λ1 | λ2 | λ3 | |
| Data collection | ||||
| Wavelength (Å) | 1.10 | 0.9794 | 0.9798 | 0.93 |
| Resolution (Å) | 2.65 | 2.7 | 2.7 | 2.8 |
| No. of unique reflections | 25,627 | 24,387 | 24,442 | 22,072 |
| Completeness (%) | 96.4 | 97.7 | 97.5 | 98.1 |
| Rsym (%) | 7.5 | 7.5 | 7.8 | 7.9 |
| I/σ(I) | 18 | 35 | 32 | 30 |
| MAD phasing | ||||
| No. of sites | 2 | |||
| Resolution range (Å) | 20–2.8 | |||
| Figure of merit | 0.37 | |||
| Refinement | ||||
| Resolution range (Å) | 42–2.65 | 39–2.7 | ||
| Rcryst (%) | 23.3 | 23.7 | ||
| Rfree (%) | 28.6 | 28.0 | ||
| No. of non-H atoms in the model | ||||
| Protein atoms | 3886 | 3884 | ||
| Solvent molecules | 93 | 90 | ||
| RMSD value from ideality | ||||
| Bond length (Å) | 0.008 | 0.007 | ||
| Bond angle (o) | 1.3 | 1.3 | ||
| Average B factor (Å2) | ||||
| Protein atoms | 60.1 | 58.9 | ||
| Solvent molecules | 47.4 | 53.2 | ||