Table 1. Data collection and refinement statistics.
The co-ordinates and structure factors have been deposited with the PDB (entries 2DF3 and 2G5R). Statistical analysis results for the highest resolution shell are shown in parentheses.
| Data Collection | Siglec-7–DSLc4 | Siglec-7–oxamido-Neu5Ac |
|---|---|---|
| Wavelength (Å) | 0.933 | 0.933 |
| Resolution (Å) | 25–1.90 (1.97–1.90) | 25–1.60 (1.66–1.60) |
| Space group | P41212 | P41212 |
| Unit cell (Å) | a=b=53.07, c=92.88 | a=b=52.93, c=93.24 |
| Reflections: | ||
| Observed | 46855 | 74536 |
| Unique | 11014 | 17748 |
| Redundancy | 4.3 (3.8) | 4.2 (2.2) |
| Rmerge | 0.078 (0.445) | 0.043 (0.338) |
| I/σI | 15.5 (3.1) | 21.5 (2.0) |
| Completeness (%) | 99.3 (94.0) | 97.5 (78.9) |
| Rfree reflections | 523 | 893 |
| Rcryst (%) | 19.7 | 21.4 |
| Rfree (%) | 23.7 | 22.8 |
| Total number of atoms | 1119 | 1053 |
| Protein | 944 | 904 |
| Water | 95 | 102 |
| Glycan | 14 | 14 |
| Ligand | 66 | 27 |
| Protein (Å2) | 20 | 18 |
| Water (Å2) | 27 | 27 |
| Glycan (Å2) | 33 | 27 |
| Ligand (Å2) | 24 | 44 |
| rmsd from ideal geometry | ||
| Bond lengths (Å) | 0.014 | 0.015 |
| Bond angles (°) | 1.65 | 1.35 |
| Main chain B (Å2) | 1.55 | 1.77 |