TABLE 1.
Data collection and refinement statistics
Numbers in parentheses are values for the highest resolution shell. r.m.s.d., root mean square deviation.
| Crystal (PDB: 4FVV) | HCR/D-C-GBL/C1-Sia |
|---|---|
| Diffraction data | |
| Resolution range (Å) | 50–2.70 (2.80–2.70) |
| No. total reflections | 95,326 |
| No. unique reflections | 31,121 (3,024) |
| Completeness (%) | 96.4 (95.1) |
| Redundancy | 3.1 (3.1) |
| I/σ(I) | 9.8 (2.0) |
| Unit cell a, b, c (Å) | 82.6, 154.3, 181.0 |
| Space group | I222 |
| Rsymm | 0.113 (0.505) |
| Vm (Å3/Da)/solvent content (%) | 2.9/56 |
| Monomers in an asymmetric unit | 2 |
| Refinement | |
| Rcrystal/Rfree | 0.206 (0.263) |
| r.m.s.d. bond length/bond angle | 0.007/1.4 |
| No. protein atoms | 6,741 |
| No. water molecules | 190 |
| No. glycerol atoms | 18 |
| No. SO4 atoms | 15 |
| No. sialic acid atoms | 21 |
| Average B-factors | |
| Protein atoms (Å2) | 34.8 |
| Water molecules (Å2) | 24.2 |
| Glycerol (Å2) | 47.0 |
| SO4 (Å2) | 56.7 |
| Sialic acid (Å2) | 58.3 |
| Ramachandran statistics | |
| Most favored regions (%) | 82.0 |
| Additional allowed regions (%) | 17.6 |
| Generously allowed regions (%) | 0.4 |
| Disallowed regions (%) | 0 |