Table 3.
Data collection and refinement statistics
| CaAC (PDB-ID: 5OYH) | |
|---|---|
| Data collection | |
| Space group | I41 |
| Cell dimensions | |
| a, b, c (Å) | 193.28, 193.28, 225.50 |
| α, β, γ (°) | 90, 90, 90 |
| Resolution (Å) | 45.9–2.249 (2.33–2.249)a |
| Unique reflections | 194,816 (19,386) |
| Rmerge | 0.1151 (1.056) |
| CC1/2 | 0.999 (0.703) |
| I/σI | 15.35 (1.92) |
| Completeness (%) | 100 (100) |
| Redundancy | 7.8 (7.9) |
| Wilson B-factor | 36.01 |
| Refinement | |
| Resolution (Å) | 2.25 |
| No. of reflections | 194,681 (19,371) |
| Rwork/Rfree(%) | 18.2/22.4 |
| No. of atoms | 24,979 |
| Protein | 226,62 |
| Ligand/ion | 602 |
| Water | 1715 |
| B-factors | 40.34 |
| Protein | 39.61 |
| Ligand/ion | 56.47 |
| Water | 44.28 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.009 |
| Bond angles (°) | 0.9 |
| Ramachandran Plot | |
| Ramachandran favored (%) | 98 |
| Ramachandran allowed (%) | 1.7 |
| Ramachandran outliers (%) | 0 |
aValues in parentheses are for highest-resolution shell