TABLE 3.
Data collection and refinement statistics.
| GlcNol6P | GlcNol6P‐ GlcNAc6P | APO | |
|---|---|---|---|
| PDB 8FDB | PDB 8EYM | PDB 8EOL | |
| Data collection | |||
| Wavelength (Å) | 1.54 | 1.54 | 1.54 |
| Space group | C2221 | P212121 | P212121 |
| Unit cell dimensions [a, b, c (Å)] |
71.89, 113.14, 171.01 90, 90, 90 |
73.18, 80.24, 91.51 90, 90, 90 |
72.38, 78.75, 96.86 90, 90, 90 |
| Resolution (Å) | 34.95–3.06 | 39.75–2.31 | 41.25–2.17 |
| Highest‐resolution shell (Å) | 3.21–3.06 | 2.35–2.31 | 2.21–2.17 |
| No. of observed reflections | 92,757 | 99,953 | 348,200 |
| No. of unique reflections | 13,430 | 22,873 | 29,534 |
| Completeness (%) | 98.3 (99.4) | 95.0 (84.1) | 98.5 (91.3) |
| Redundancy | 7.1 (4.0) | 4.6 (2.6) | 11.0 (5.9) |
| Rmerge (%) | 0.165 (0.625) | 0.064 (0.223) | 0.058 (0.381) |
| CC1/2 | 0.794 | 0.945 | 0.931 |
| ⟨I/σ(I)⟩ | 9.8 (2.10) | 36.1 (3.7) | 47.0 (5.0) |
| Refinement | |||
| R work (%) | 0.206 | 0.186 | 0.188 |
| R free (%) | 0.241 | 0.233 | 0.231 |
| Average B factor (Å2) | 37.0 | 38.0 | 36.0 |
| Bond lengths (Å) | 0.006 | 0.008 | 0.010 |
| Bond angles (°) | 0.806 | 1.056 | 1.025 |
| Ramachandran statistics (%) | |||
| Favored | 97.3 | 97.7 | 97.6 |
| Allowed | 2.7 | 2.3 | 2.4 |