TABLE 1.
Data collection statistics
Numbers in parentheses correspond to the highest resolution shell.
| KpOHCU decarboxylase (P1) | KpOHCU decarboxylase (P41) | KpOHCU decarboxylase-allantoin | KpOHCU decarboxylase-allopurinol soak | |
|---|---|---|---|---|
| Resolution (Å) | 1.79 | 1.55 | 2.00 | 1.98 |
| Wavelength (Å) | 0.987 | 0.987 | 0.987 | 0.987 |
| Beam line | CHESS A1 | CHESS A1 | CHESS A1 | CHESS A1 |
| Space group | P1 | P41 | C2 | C2 |
| a (Å) | 46.8 | 88.2 | 91.2 | 91.4 |
| b (Å) | 49.3 | 47.3 | 46.7 | |
| c (Å) | 51.7 | 40.2 | 50.2 | 47.3 |
| α (°) | 113.2 | |||
| β (°) | 116.5 | 123.1 | 119.0 | |
| γ (°) | 94.3 | |||
| No. of reflections | 54,203 | 367,405 | 29,217 | 27,333 |
| Unique reflections | 31,805 | 49,837 | 12,101 | 11,639 |
| Average I/σ | 27.8 (4.7) | 28.7 (7.3) | 16.5 (2.6) | 17.3 (1.9) |
| Redundancy | 1.7 (1.5) | 7.4 (7.2) | 2.4 (2.0) | 2.3 (1.8) |
| Completeness (%) | 93.8 (75.0) | 99.9 (100.0) | 98.6 (94.1) | 94.7 (58.0) |
| Rsyma (%) | 3.0 (14.2) | 9.6 (37.0) | 7.6 (26.3) | 6.9 (32.6) |
a Rsym = ΣΣi|Ii − 〈I〉|, where 〈I〉 is the mean intensity of the N reflections with intensities Ii and common indices h, k, and l.