Extended Data Table 1.
Data collection and refinement statistics
| SidJse-Met-CaM (PDB 6K4L) |
SidJ-CaM (PDB 6K4K) |
SidJ-CaM-AMP (PDB 6K.4R) |
|
|---|---|---|---|
| Data Collection | |||
| Space group | P 1 21 1 | P 1 21 1 | P 1 21 1 |
| Cell dimensions | |||
| a, b, c (Å) | 61.06, 159.25, 135.81 | 60.96, 159.53, 135.61 | 60.85, 159.18, 135.03 |
| α, β, γ (°) | 90.00, 101.68, 90.00 | 90.00, 101.89, 90.00 | 90.00, 101.78,90.00 |
| Wavelength (Å) | 0.9792 | 0.9792 | 0.9792 |
| Resolution (Å) | 66.50-2.95 (3.01-2.95)* | 55.46-2.71 (2.81-2.71) | 66.09-3.11 (3.22-3.11) |
| Rmerge | 0.158 (0.959) | 0.176 (1.401) | 0.230 (1.131) |
| I/σI | 12.8 (2.5) | 12.1 (2.2) | 12.5 (2.3) |
| Completeness (%) | 99.90 (100.00) | 96.87 (97.82) | 92.45 (99.80) |
| Redundancy | 6.8 (7.1) | 12.9(12.2) | 6.5 (5.4) |
| Refinement | |||
| Resolution (Å) | 2.95 | 2.71 | 3.11 |
| No. reflections | 53475 | 66262 | 41852 |
| Rwork/Rfree | 0.252/0.278 | 0.205/0.243 | 0.239/0.279 |
| No. atoms | |||
| Protein | 12936 | 12738 | 12640 |
| Ligand/ion | 2 | 2 | 100 |
| Water | 16 | 2 | 0 |
| B factors (Å2) | |||
| Protein | 58.30 | 69.39 | 65.00 |
| Ligand/ion | 64.10 | 128.39 | 75.65 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.005 | 0.006 | 0.003 |
| Bond angles (°) | 0.89 | 0.93 | 0.63 |
*
For each structure one crystal was used. Values in parentheses are for highest-resolution shell.