TABLE 1.
Crystallographic data and refinement statistics
| ATP·Mg2+·Srx·PrxI-CO2− | |
|---|---|
| Data collection | |
| Space group | P212121 |
| Cell dimensions | |
| a, b, c (Å) | 57.3, 92.4, 131.9 |
| α, β, γ (°) | 90, 90, 90 |
| Wavelength (Å) | 1.54 |
| Resolution (Å)a | 30.0-2.1 (2.18-2.10) |
| Rmerge (%) | 8.2 (26.5) |
| I/σI | 13.2 (5.3) |
| Completeness (%) | 99.9 (99.5) |
| Redundancy | 13.7 (10.3) |
| Wilson B (Å2) | 26.9 |
| Refinement | |
| Resolution (Å) | 27.4-2.1 |
| Rwork/Rfree (%) | 22.4/27.3 |
| No. of reflections used (work/free) | 39,439/2090 |
| No. of atoms | |
| Protein | 4450 |
| Ligands | 66 |
| Water | 323 |
| R.m.s.b deviations | |
| Bond lengths (Å) | 0.014 |
| Bond angles (°) | 1.47 |
| Average B-factor (Å2) | |
| Protein | 23.9 |
| Ligands | 24.7 |
| Solvent | 25.4 |
| Ramachandran analysis | |
| Favored regions (%) | 99.8 |
| Allowed regions (%) | 0.2 |
a Numbers in parentheses are for the highest resolution shell.
b R.m.s., root mean square.