TABLE 1.
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.