Table 2. Summary of crystallographic analysis of WNV NS2B–NS3 and DEN2 NS2B–NS3 crystals.
Values in parentheses are for the highest resolution shell.
| WNV NS2B–NS3 | ||||
|---|---|---|---|---|
| Complexed with Bz-Nle-Lys-Thr-Arg-H | 90 h digested | Trypsin digested | DEN2 NS2B–NS3 | |
| Space group | P65 | P21 | P321 | C2221 |
| Unit-cell parameters (Å, °) | a = b = 99.4, c = 50.0, α = β = 90, γ = 120 | a = 30.4, b = 82.7, c = 31.9, α = γ = 90, β = 98.9 | a = b = 41.5, c = 178.3, α = β = 90, γ = 120 | a = 61.3, b = 61.1, c = 114.0, α = β = γ = 90 |
| No. of molecules in ASU | 1 | 1 | 1 | 1 |
| Solvent content (%) | 60 | 38 | 47 | 44 |
| Wavelength (Å) | 1.00882 | 1.00123 | 1.54178 | 1.54178 |
| Resolution range (Å) | 20.0–2.3 (2.40–2.30) | 28.2–1.96 (2.00–1.96) | 20–2.23 (2.30–2.23) | 43.0–1.50 (1.56–1.50) |
| Unique reflections | 12682 | 11151 | 9308 | 34417 |
| Completeness (%) | 99.9 | 99.3 | 99.4 | 99.2 (98.7) |
| Redundancy | 4.1 | 3.5 | 9.9 | 3.0 |
| Rmerge (%) | 7.8 (30.2) | 3.6 (7.0) | 7.8 (45.1) | 7.9 (24.9) |
| I/σ(I) | 14.1 (5.2) | 30.8 (12.4) | 18.8 (6.1) | 11.7 (5.0) |