Table 1.
Data collection and refinement statistics.
| C2B with phosphoserine | |
|---|---|
| Data collection1 | |
| Space group | P4 21 2 |
| Cell dimensions | |
| a, b, c (Å) | 97.0, 97.0, 89.0 |
| α, β, γ (°) | 90, 90, 90 |
| Resolution (Å) | 50-1.50 (1.54-1.50) 2 |
| Rsym (%) | 3.5 (25.9) |
| I / σI | 43.9 (7.9) |
| Completeness (%) | 97.7 (81.7) |
| Redundancy | 12.2 (7.4) |
| Wilson B-factor (Å2) | 13.7 |
| Refinement | |
| Resolution (Å) | 50-1.50 |
| No. reflections | 66840 |
| Rwork / Rfree | 18.3/ 20.4 |
| No. atoms | |
| Protein | 2413 |
| Ligand (2 PS)/ions (7 Ca2+, 5 SCN−) | 22/ 22 |
| Water | 256 |
| B-factors (Å2) | |
| Overall | 13.5 |
| Protein | 12.6 |
| Ligand (2 PS)/ions (Ca2+, SCN−) | PS: 14.6 / Ca2+ 11.8 / SCN−: 14.4 |
| Water | 21.6 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.009 |
| Bond angles (°) | 1.23 |
1
Data were collected from a single crystal.
2
Values in parentheses are for highest-resolution shell.