TABLE 3.
X-ray data collection and refinement statistics
| ch5E1 Fab | ch5E1 Fab-Shh complex | |
|---|---|---|
| Data collection | ||
| Space group | R3 | P212121 |
| Cell dimensions | ||
| a, b, c | 110.3, 110.3, 112.5 Å | 60.3, 90.5, 111.7 Å |
| Resolution | 50 to 1.90 Å (1.97 to 1.90 Å) | 50 to 1.83 Å (1.90 to 1.83 Å) |
| Rsym | 7.0 (48.2)a | 6.8 (46.4) |
| 〈I〉/〈σI〉 | 15.8 (2.3) | 16.4 (2.2) |
| Completeness | 100% (100%) | 98.8% (90.7%) |
| Redundancy | 3.2 (3.2) | 4.3 (2.6) |
| Refinement | ||
| Resolution | 50 to 1.90 Å | 50 to 1.83 Å |
| No. of reflections | 43,799 | 54,060 |
| Rwork/Rfree | 17.9, 22.4% | 17.6, 21.8% |
| No. of atoms | ||
| Protein | 3339 | 4563 |
| Solvent | 372 | 439 |
| Root mean square deviation | ||
| Bond lengths | 0.009 Å | 0.011 Å |
| Bond angles | 1.2° | 1.3° |
a Values in parentheses are for highest resolution shell.