Table 2. Structure solution and refinement.
Values in parentheses are for the outer shell.
Resolution range (Å) | 50.00–2.69 (2.76–2.69) |
Completeness (%) | 98.5 (94.4) |
No. of reflections, working set | 26963 (2013) |
No. of reflections, test set | 1517 (81) |
Final R cryst | 0.145 (0.219) |
Final R free | 0.211 (0.289) |
Cruickshank DPI | 0.4008 |
No. of non-H atoms | |
Protein | 5341 |
Ions | 7 |
Other ligands | 146 |
Water | 222 |
Total | 5716 |
R.m.s. deviations | |
Bonds (Å) | 0.0142 |
Angles (°) | 1.7663 |
Average B factors (Å2) | |
Protein, chain A | 38.41 |
Protein, chain B | 41.06 |
Galactobiose, chain A | 44.05 |
Galactobiose, chain B | 42.95 |
Glycosylation, chain A | 56.97 |
Glycosylation, chain B | 58.03 |
Ions | 64.93 |
Other ligands | 71.24 |
Water | 35.41 |
Ramachandran plot† | |
Most favoured (%) | 96.37 |
Allowed (%) | 3.63 |
The Ramachandran plot was generated using dynarama in Coot (Emsley et al., 2010 ▸).