Table 2 Data collection and refinement statistics (molecular replacement).
Crystal 1 | |
|---|---|
Data collection | |
Space group | P212121 |
Cell dimensions | |
a, b, c (Å) | 37.11, 107.60, 121.22 |
α, β, γ (°) | 90.00, 90.00, 90.00 |
Resolution (Å) | 42.20–2.27 (2.35–2.27)* |
Rsym or Rmerge | 0.05 (1.53) |
I/σI | 14.53 (0.9) |
Completeness (%) | 98.95 (99.17) |
Redundancy | 4.48 (4.39) |
Refinement | |
Resolution (Å) | 42.2–2.27 |
No. of reflections | 25,247 |
Rwork/Rfree | 0.23/0.27 |
No. of atoms | 3709 |
Protein | 3672 |
Ligand/ion | 21 |
Water | 16 |
B factors | |
Protein | 88.25 |
Ligand/ion | 98.95 |
Water | 66.82 |
R.m.s. deviations | |
Bond lengths (Å) | 0.01 |
Bond angles (°) | 1.13 |