Table 1. Data-collection and processing statistics.
Values in parentheses are for the outer resolution shell.
| Native crystal | Potassium bromide-soaked crystal | |
|---|---|---|
| Wavelength (Å) | 1.5418 | 1.5418 |
| Temperature (K) | 100 | 100 |
| Detector type | R-AXIS IV++ | R-AXIS IV++ |
| Crystal-to-detector distance (mm) | 200 | 200 |
| Oscillation range per image (°) | 0.5 | 0.5 |
| Space group | P212121 | P212121 |
| Unit-cell parameters (Å, °) | a = 52.7, b = 93.6, c = 124.9, α = β = γ = 90 | a = 53.2, b = 94.2, c = 122.9, α = β = γ = 90 |
| Mosaicity (°) | 0.4 | 0.4 |
| Resolution (Å) | 40–2.8 (2.9–2.8) | 40–3.8 (3.9–3.8) |
| Total No. of reflections | 79218 (8071) | 40776 (2994) |
| No. of unique reflections | 15803 (1560) | 11741 (869) |
| Multiplicity | 5.0 (5.1) | 3.4 (3.4) |
| Completeness (%) | 99.7 (99.9) | 99.7 (99.8) |
| Average I/σ(I) | 11.0 (2.0) | 7.0 (2.0) |
| R meas (%) | 12.6 (86.3) | 23.7 (87.3) |
| CC1/2 | 1.0 (0.8) | 1.0 (0.5) |
| Overall B factor from Wilson plot (Å2) | 56.2 | 74.9 |