Table 1. Data collection and refinement statistics.
| Apo ENPP6 | ENPP6–Phosphocholine | |
|---|---|---|
| Data collection | ||
| Beamline | SPring-8 BL41XU | SLS PXI |
| Wavelength (Å) | 1.282 | 1.278 |
| Space group | P1 | P1 |
| Cell dimensions | ||
| a, b, c (Å) | 64.3, 78.2, 103.6 | 63.7, 68.8, 69.7 |
| α, β, γ (°) | 90.0, 90.0, 114.6 | 60.6, 87.0, 68.1 |
| Resolution (Å) | 50.0–1.99 (2.02–1.99) | 50.0–1.80 (1.91–1.80) |
| Rsym | 0.188 (0.835) | 0.058 (0.624) |
| I/σI | 6.11 (1.40) | 12.8 (1.78) |
| Completeness (%) | 96.6 (93.7) | 93.6 (88.5) |
| Redundancy | 3.96 (3.99) | 3.54 (3.28) |
| CC(1/2) | 0.99 (0.62) | 0.99 (0.75) |
| Refinement | ||
| Resolutions (Å) | 38.9–2.00 (2.01–2.00) | 45.6–1.80 (1.87–1.80) |
| No. Reflections | 120,105 | 81,806 |
| Rwork/Rfree | 0.167/0.206 | 0.175/0.209 |
| No. atoms | ||
| Protein | 12,807 | 6,439 |
| Ligand/ion | 394 | 220 |
| Water | 2,048 | 528 |
| B-factors (Å2) | ||
| Protein | 20.4 | 31.7 |
| Ligand/ion | 38.5 | 49.9 |
| Water | 31.1 | 38.2 |
| R.m.s. deviations | ||
| Bond length (Å) | 0.007 | 0.007 |
| Bond angles (°) | 0.890 | 0.906 |
| Ramachandran plot | ||
| Allowed region | 3.6% | 3.9% |
| Outlier region | 0.2% | 0.1% |
*Values in parentheses are for the highest-resolution shell.