Table II.
X-ray Diffraction Data, Structure Solution, and Refinement Statisticsa
| eC1s-2SP / A1 | |
|---|---|
| PDB Accession Code | 8TYP |
| Data Collection | |
| Space Group | P21 |
| Wavelength (Å) | 1.000 |
| Cell Dimensions | |
| a, b, c (Å) | 41.71, 79.82, 60.44 |
| α, β, γ (°) | 90.00, 95.67, 90.00 |
| Resolution (Å) | 50.00–1.80 |
| Wilson B-Factor (Å2) | 24.0 |
| Completeness (%) | 97.1 (80.6) |
| I / σI | 10.6 (1.0) |
| Rpim | 0.065 (0.537) |
| CC1/2 | 0.973 (0.464) |
| Redundancy | 6.1 (3.5) |
|
| |
| Refinement | |
| Resolution (Å) | 48.03–1.80 |
| Number of Reflections | 35,339 |
| Rwork / Rfree (%) | 18.5 / 19.6 |
| Atoms Modeled | 2,795 |
| Protein | 2,390 |
| Carbohydrate | 49 |
| Ligand (A1) | 21 |
| Water | 335 |
| Average B-Factors (Å2) | 30.4 |
| Protein | 29.1 |
| Carbohydrate | 46.2 |
| Ligand (A1) | 26.9 |
| Water | 37.9 |
| Ramachandran Plot | |
| Favored/Allowed (%) | 96.69 / 1.99 |
| R.M.S. Deviations | |
| Bond Lengths (Å) | 0.007 |
| Bond Angles (°) | 0.91 |
a
Values in parentheses are for the highest-resolution shell.