Table 1.
Statistics of data collection.
| CeQORH-13-KOTE | CeQORH-NADP+-13-KOTE | |
|---|---|---|
| Resolution range (Å) | 40.21–2.78 (2.94–2.78) | 49.58–2.81 (2.98–2.81) |
| Wavelength (Å) | 0.9796 | 1.04 |
| Space group | P1 | P21 |
| Unit cell parameters (Å,°) | a = 82.87, b = 121.01, c = 122.94, α = 66.73, β = 79.10, γ = 79.99 | a = 82.16, b = 128.60, c = 150.12, β = 97.76 |
| Molecules in au | 12 | 8 |
| Number of total reflections | 186,642 (27,138) | 283,856 (45,069) |
| Unique reflections | 102,756 (15,212) | 75,277 (11,943) |
| Average multiplicity | 1.8 (1.8) | 3.8 (3.8) |
| Data completeness (%) | 94.8 (87.0) | 99.4 (98.2) |
| Rsym (%) | 14.5 (75.4) | 8.6 (62.6) |
| <I/σ(I)> | 6.1 (1.1) | 13.7 (2.2) |
| CC(1/2) | ND | 99.7 (77.0) |
Rsym = ΣΣ|Ii-Im|/ΣΣIi, where Ii is the intensity of the measured reflection and Im is the mean intensity of this reflection. Values indicated in parentheses correspond to the statistics in the highest resolution shell.