Table 2 Data collection and refinement statistics.
C5.2 | |
---|---|
Data collection | |
Space group | C 1 2 1 |
Cell dimensions | |
a, b, c (Å) | 161.16, 40.53, 228.06 |
α, β, γ (°) | 90, 104.07, 90 |
Resolution (Å) | 44.3–2.09 (2.17–2.09)* |
R merge | 0.069 (0.54) |
I /σI | 12.3 (2.51) |
Completeness (%) | 99.5 (99.3) |
Redundancy | 4.2 (4.2) |
Refinement | |
Resolution (Å) | 44.3–2.09 (2.17–2.09) |
No. reflections | 84763 (8330) |
Rwork/Rfree | 21.8%/27% |
No. atoms | |
Protein | 10005 |
Ligand/ion | 15 |
Water | 874 |
B -factors | |
Protein | 36.8 |
Ligand/ion | 45.2 |
Water | 40.8 |
R.m.s. deviations | |
Bond lengths (Å) | 0.008 |
Bond angles (°) | 1.24 |