Table 1.
Crystallographic data and refinement statistics
| Inhibitor | o-F-AM | o-Cl-AM |
| Soaking | 5 mM, 6 h | 5 mM, 6 h |
|
| ||
| Crystallographic data | ||
|
| ||
| Space group | C2 | C2 |
| Cell dimensions |
a = 146.4, b = 60.4, c = 115.5 Å β = 124.4° |
a = 145.7, b = 60.8, c = 114.3 Å β =123.9° |
| Resolution range (Å) | 50.0 - 2.1 (2.18 - 2.10) | 50.0 - 2.5 (2.59 - 2.50) |
| Total observations | 155,187 | 98,188 |
| Unique observations | 44,771 | 27,393 |
| Completeness (%) | 91.8 (66.7) | 94.8 |
| Rmerge (%) | 4.5 (28.8) | 6.2 (40.1) |
| <I>/σ<I> | 14.9 | 14.8 |
|
| ||
| Refinement statistics | ||
|
| ||
| Resolution (Å) | 20.0 - 2.1 | 20.0 - 2.5 |
| R/Rfree (%) | 22.0/25.0 | 20.3/24.4 |
| Root mean square deviation | ||
| Bond lengths (Å) | 0.005 | 0.009 |
| Bond angles (°) | 0.887 | 1.241 |
Values in parentheses are for highest resolution shell.