Table 1.
Crystallographic data collection, phasing and refinement statistics.
| GnT-IVa lectin domain D445A mutant (PDB ID: 7VMT) | Iodide derivative | |
|---|---|---|
| Data collection | ||
| Space group | C2 | C2 |
| Cell dimensions | ||
| a, b, c (Å) | 82.9, 82.5, 148.9 | 82.7, 82.5, 149.4 |
| α, β, γ (°) | 90, 105.7, 90 | 90, 105.7, 90 |
| Resolution (Å) | 49.7-1.95 (2.06-1.95) * | 49.8-2.19 (2.26-2.19) |
| Rsym | 7.0 (68.3) | 30.1 (490.4) |
| I/σI | 15.7 (3.0) | 27.1 (0.8) |
| Completeness (%) | 99.7 (98.9) | 98.6 (84.2) |
| Redundancy | 6.8 (6.7) | 88.3 (9.7) |
| Refinement | ||
| Resolution (Å) | 41.4-1.95 | |
| No. reflections | 70,228 | |
| Rwork/Rfree | 20.8/24.4 | |
| No. atoms | ||
| Protein | 6790 | |
| Ligand/ion | 42 | |
| Water | 210 | |
| B-factors | ||
| Protein | 42.3 | |
| Ligand/ion | 30.8 | |
| Water | 37.2 | |
| R.m.s deviations | ||
| Bond lengths (Å) | 0.008 | |
| Bond angles (°) | 0.932 | |
*Values in parentheses are for highest-resolution shell.