Table 2.
Crystallographic data statistics
| Data collection | H5/LSTa | H5/LSTc | H9/LSTa | H9/LSTc |
|---|---|---|---|---|
| Resolution (Å) | 40.0–2.4 | 40.0–2.4 | 40.0–2.4 | 40.0–2.4 |
| Unique reflections | 30,623 | 29,860 | 29,860 | 38,054 |
| Completeness (%), redundancy, I/〈σ〉 | 92.7 (94.0), 7, 8.8 | 90.6 (87.5), 9, 17.8 | 90.6 (92.9), 9, 17.8 | 97.7 (91.2), 7, 13.9 |
| Rmerge (%) | 10.6 (70.9) | 5.7 (25.9) | 5.7 (36.3) | 6.7 (29.1) |
| Refinement | ||||
| Rcryst (%), Rfree (%) | 24.0 (58.8), 29.6 (63.4) | 22.1 (26.7), 25.1 (32.0) | 20.0 (31.2), 22.7 (27.1) | 20.1 (42.5), 23.5 (45.1) |
| rmsd bond lengths (Å), angles (°) | 0.009, 1.5 | 0.007, 1.3 | 0.006, 1.3 | 0.006, 1.3 |
| Number of protein, water, and carbohydrate atoms | 3,738, 216, 144 | 3,738, 290, 119 | 3,725, 158, 172 | 3,725, 142, 208 |
H5 crystallized in space group R32 (a = 131.6 Å, c = 254.1 Å) and H9 in space group P63 (a = 108.5 Å, c = 149.3 Å). The statistics for the last shell is in parentheses. The higher R and Rfree values for the H5/LSTa complex are due to poorer quality of the diffraction data.