Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Ac-FabH + OCoA | FabH + OCoA | CATIII + AcOCoA | |
|---|---|---|---|
| Diffraction source | APS beamline 21-ID-G | APS beamline 21-ID-G | APS beamline 21-ID-G |
| Wavelength (Å) | 0.97856 | 0.97856 | 0.97856 |
| Temperature (K) | 80 | 80 | 80 |
| Space group | P41212 | P41212 | P42212 |
| a, b, c (Å) | 72.63, 72.63, 102.87 | 72.63, 72.63, 102.87 | 106.92, 106.92, 126.60 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Resolution range (Å) | 50–1.30 (1.35–1.30) | 50.0–1.35 (1.40–1.35) | 50.0–1.68 (1.74–1.68) |
| Total No. of reflections | 247744 | 224532 | 311296 |
| No. of unique reflections | 68034 | 60608 | 84122 |
| Completeness (%) | 99.6 (96.5) | 98.7 (100) | 99.8 (100) |
| Multiplicity | 14.2 (12.0) | 13.9 (13.7) | 14.5 (14.3) |
| 〈I/σ(I)〉 | 34.4 (1.94) | 25.1 (3.85) | 23.5 (2.97) |
| R r.i.m. | 0.070 (0.568) | 0.089 (0.797) | 0.152 (1.308) |
| R p.i.m. | 0.019 | 0.024 | 0.040 |
| Overall B factor from Wilson plot (Å2) | 14.74 | 20.81 | 20.37 |