TABLE 1.
Crystallographic data collection and refinement statistics
| Parameter | Free enzyme | Enzyme substrate complex |
|---|---|---|
| Unit cell parameters (Å) | a = 87.7, b = 144.2, c = 185.2 | a = b = 179.5, c = 245.5 |
| Space group | P212121 | P43212 |
| Images collected | 879 (SBC-CAT) | 180 (IMCA-CAT) |
| Resolution (Å) | 20.8-2.0 | 20.0-3.0 |
| No. of measured reflections | 449,811 | 461,815 |
| No. of unique reflections | 147,609 | 79,677 |
| Completeness (%)a | 92.9 (85.0) | 99.2 (98.6) |
| I/σ (I) | 7.4 (1.1) | 12.3 (5.4) |
| Rsym (%) | 7.6 (54.0) | 11.6 (26.5) |
| R factor | 19.1 (25.5) | 28.7 (44.0) |
| Rfree | 22.4 (26.5) | 30.0 (42.1) |
| Water molecules | 1,119 | 351 |
| RMS bond distance (Å) | 0.016 | 0.02 |
| RMS bond angles (°) | 1.5 | 1.4 |
a
Numbers in parentheses correspond to values in the highest-resolution shell.