TABLE 1.
Details of data collection and structure refinement
| OfChi-h | OfChi-h-(GlcN)7 | |
|---|---|---|
| Space group | P22121 | P22121 |
| Unit-cell parameters | ||
| a (Å) | 48.908 | 49.276 |
| b (Å) | 114.419 | 114.220 |
| c (Å) | 122.639 | 123.382 |
| Wavelength (Å) | 0.97869 | 0.97930 |
| Temperature (K) | 100 | 100 |
| Resolution (Å) | 50-3.23 (3.29-3.23) | 50-2.7 (2.75-2.70) |
| Unique reflections | 12,123 | 19,777 |
| Observed reflections | 22,262 | 36,778 |
| Rmerge | 0.36(0.0) | 0.175(0.495) |
| Average multiplicity | 11.7(10.0) | 11.4(11.3) |
| 〈I/σ(I)〉 | 8.94(1.7) | 18.67(8.98) |
| Completeness (%) | 100(100) | 99.9(100) |
| R/Rfree | 0.2115/0.2565 | 0.1958/0.2411 |
| Protein atoms | 4,197 | 4,212 |
| Water molecules | 1 | 47 |
| Other atoms | 28 | 120 |
| r.m.s.d. from ideal | ||
| Bond lengths (Å) | 0.005 | 0.010 |
| Bond angles (°) | 0.800 | 1.191 |
| Wilson B factor (Å2) | 57.77 | 40.66 |
| Average B factor (Å2) | 70.60 | 40.7 |
| Protein atoms | 70.60 | 40.1 |
| Water molecules | 89.70 | 39.8 |
| Ramachandran plot (%) | ||
| Favored | 86.3 | 89.2 |
| Allowed | 13.7 | 10.8 |
| Outliers | 0 | 0 |
| PDB code | 5GPR | 5GQB |