TABLE 2.
Refinement statistics
Values in parentheses are for the highest-resolution shell.
| Non-glycosylated LeIBP | Glycosylated LeIBP | |
|---|---|---|
| Refinement | ||
| Resolution (Å) | 31.59-1.57 (1.62-1.57) | 50.78-2.43 (2.50-2.43) |
| No. of reflections of working set | 67,692 (4926) | 10,549 (788) |
| No. of reflections of test set | 3614 (244) | 533 (56) |
| R-factor | 0.216 (0.245) | 0.236 (0.340) |
| Rfreea | 0.251 (0.324) | 0.286 (0.331) |
| No. of amino acid residues | 480 | 240 |
| No. of sugar residues | 0 | 4 |
| No. of solvent molecules | 458 | 14 |
| Average B-factor (protein) (Å2) | 15.60 | 23.60 |
| Average B-factor (solvent) (Å2) | 31.58 | 47.81 |
| R.m.s. deviation from ideal geometry | ||
| Covalent bond lengths (Å) | 0.026 | 0.018 |
| Bond angles (°) | 2.257 | 2.208 |
a Rfree was calculated for a randomly chosen 5% of the reflections.