TABLE 1.
Data collection and refinement statistics
| Parameter | Value |
|---|---|
| Data collection statistics | |
| Wavelength (Å) | 1.08 |
| Resolution (Å) | 50-2.25 |
| Space group | P21212 |
| Cell dimensions | a = 89.41 Å, b = 144.738 Å, c = 83.303 Å, α = β = γ = 90° |
| Molecules/asymmetric unit | 2 |
| Redundancy (overall/outermost shell) | 13.1 (8.5) |
| I/σ(I) | 11.1 (3) |
| Rmerge (overall/outmost shell) | 0.06 (0.22) |
| Completeness (%) (overall/outmost shell) | 94.5 (67.3) |
|
No. of Reflections
|
49224
|
| Refinement statistics | |
| Resolution range (Å) | 50-2.25 |
| No. of reflections | 47715 |
| Completeness (working+test) (%) | 91.6 |
| Rfactor | 0.23 |
| Rfree | 0.28 |
| No. of protein atoms | 6595 |
| No. of sulfate ions | 8 |
| No. of water molecules | 251 |
| B values | |
| From Wilson plot (Å2) | 21.2 |
| Mean B value (overall, Å2) | 37.6 |
| Root mean square deviation bonds (Å) | 0.008 |
| Root mean square deviation angles (degrees) | 1.4 |
| Ramachandran plot analysis: | |
| Most favored region (additionally allowed) (%) | 85.6 (13.2) |
| Generously allowed region (disallowed) (%) | 1.0 (0.3) |