Table 1 X-ray crystallographic data collection and refinement statistics.
Data collection | |
Space group | I 21 21 21 |
Cell dimensions | |
a, b, c (Å) | 84.24, 113.98, 144.94 |
α, β, γ (°) | 90, 90, 90 |
Resolution (Å) | 50–1.4 (1.50–1.40)* |
Rsym | 0.081 (1.707) |
I/σI | 17.9 (2.0) |
Completeness (%) | 100.0 (100.0) |
Redundancy | 11.2 (11.2) |
No. unique reflections | 136,613 (25,318) |
CC(1/2) | 1 (0.694) |
Refinement | |
Resolution (Å) | 50–1.4 |
No. reflections, all/free set | 136,607/6,830 |
Rwork/Rfree | 0.171/0.195 |
No. atoms | |
Protein | 3,782 |
Ligand/ion | 219 |
Water | 721 |
B-factors | 25.40 |
Protein | 22.40 |
Ligand/ion | 39.60 |
Water | 36.80 |
R.m.s deviations | |
Bond lengths (Å) | 0.020 |
Bond angles (°) | 1.91 |