Table 1. Data collection and refinement statistics (Molecular Replacement).
| Native | |
| Data collection | |
| Space group | P212121 |
| No. of complexes in asymmetric unit | 2 |
| Unit cell dimensions | |
| a, b, c (Å) | 58.1, 104.2, 146.8 |
| Resolution (Å) | 50-1.8 |
| R merge | 7.2 (49.4)a) |
| I/σI | 16.9 (3.4) |
| Completeness (%) | 98.7 (97.5) |
| Redundancy | 8.9 (6.9) |
| Wilson Factor (Å2) | 24.1 |
| Refinement | |
| Resolution (Å) | 50-1.8 |
| No. reflections | |
| Measured | 733339 |
| Unique | 82272 |
| Rwork | 17.7 |
| Rfree (test set of 5%) | 21.3 |
| No. of non-H atoms | 5980 |
| Protein | 5084 |
| Carbohydrates | 196 |
| PEG8000 | 49 |
| Acetate | 12 |
| Water | 639 |
| Average isotropic B factor (Å2) | |
| Protein main chain | 28.0 |
| Protein side chain | 34.1 |
| Carbohydrates (NAG) | 41.5 |
| PEG8000 | 55.6 |
| Acetate | 65.0 |
| Water | 39.1 |
| R.m.s deviations | |
| Bond lengths (Å) | 0.006 |
| Bond angles (°) | 1.057 |
| Ramachandran regionsb) | |
| most favorable (%) | 97.4 |
| Allowed | 2.6 |
| Outliers | 0 |
a)
Highest resolution shell is shown in parenthesis. A single crystal was used to assemble the data set.
b)
Determined with Coot [49] version 0.5.