Table 3.
Crystallography data collection and refinement statistics for I99C βI-tryptase
| I99C βI-Tryptase | |
|---|---|
| Data | |
| X-ray source | APS 22-ID |
| Wavelength (Å) | 1.0000 |
| Resolution range (Å) | 50.01–2.72 (2.73–2.72) |
| Space group | P3221 |
| Unit cell a, b, c (Å) | 96.743 96.743 238.553 |
| Unit cell α, β, γ (°) | 90 90 120 |
| Total reflections | 387721 |
| Unique reflections | 35711 |
| Multiplicity | 10.9 (11.2) |
| Completeness (%) | 100 (100) |
| Mean I/σ(I) | 19.2 (2.2) |
| Wilson B-factor (Å2) | 60.03 |
| R-symm | 0.11 (1.25) |
| CC(1/2) | 0.999 (0.793) |
| Refinement | |
| Reflections for R-free | 1035 |
| Rwork | 0.193 |
| Rfree | 0.227 |
| No. non-H atoms | 7834 |
| Macromolecules | 7673 |
| Ligands | 100 |
| Ions | 35 |
| Water | 25 |
| Protein residues | 972 |
| r.m.s.d. (bonds) (Å) | 0.009 |
| r.m.s.d. (angles) (°) | 1.09 |
| Ramachandran favorable (%) | 95 |
| Average B-factor (Å2) | 59.2 |
| Macromolecules | 59.6 |
| Ligands | 70.8 |
| Ions | 123.8 |
| Water | 53.5 |
| PDB accession code | 5WI6 |