Table 4. Structure-solution and refinement statistics.
Values in parentheses are for the outer shell.
| Data set | VcNanE–GlcNAc-6-P | VcNanE | FnNanE |
|---|---|---|---|
| Reflections used in refinement | 15355 (1423) | 58402 (5699) | 12678 (1242) |
| Reflections used for R free | 736 (79) | 2970 (296) | 644 (54) |
| R work | 0.23 (0.30) | 0.18 (0.21) | 0.18 (0.28) |
| R free | 0.28 (0.36) | 0.21 (0.26) | 0.23 (0.37) |
| No. of non-H atoms | |||
| Total | 3429 | 3872 | 1776 |
| Macromolecules | 3359 | 3474 | 1745 |
| Ligands | 66 | 47 | 2 |
| Protein residues | 453 | 464 | 225 |
| R.m.s.d., bonds (Å) | 0.005 | 0.007 | 0.009 |
| R.m.s.d., bonds (°) | 1.1 | 1.1 | 0.9 |
| Ramachandran favoured (%) | 96 | 97 | 96 |
| Ramachandran allowed (%) | 3.8 | 2.4 | 3.6 |
| Ramachandran outliers (%) | 0.22 | 0.21 | 0.45 |
| Rotamer outliers (%) | 0.56 | 0.81 | 0.53 |
| Clashscore | 3.96 | 4.26 | 6.72 |
| Average B factor (Å2) | |||
| Overall | 45.4 | 22.2 | 66.5 |
| Macromolecules | 45.3 | 21.5 | 66.7 |
| Ligands | 51.8 | 30.1 | 80.8 |
| Solvent | 41.3 | 28.7 | 54.6 |