Table 1.
Crystal Parameters | |
---|---|
Space group | P212121 |
Unit cell dimension | 84.44(90) |
a, b, c (Å) | 125.73(90) |
α, β, γ (°) | 145.92(90) |
Data Collection | |
Resolution (Å) | 50–2.7 (3.0–2.7a) |
Unique reflections | 41,731 |
Rmerge | 0.11 (0.18a) |
l/σ | 13.11(1.923a) |
Completeness (%) | 99.3 (99.1a) |
Redundancy | 6.1 (5.7a) |
Refinement | |
Rwork/Rfree | 0.2221/0.2503 |
Root-mean-square deviation | |
Bonds (Å) | 0.002 |
Angels (°) | 0.424 |
Average B factors (Å2) | |
Protein | 58.26 |
Solvent | 60.44 |
Ligand | 83.58 |
Ramachandran statistics (%) | |
Favored | 94.3% |
Allowed | 5.7% |
Outliers | 0 |
Value in parentheses are for highest-resolution shell.