Table 1 X-ray data collection and refinement statistics
Parameters | Native | NAD |
|---|---|---|
Data collection | ||
Space group | P21 | P21 |
a(Å) | 83.531 | 86.911 |
b(Å ) | 144.252 | 154.539 |
c(Å) | 138.288 | 143.435 |
α(degree) | 90 | 90 |
β(degree) | 93.590 | 95.241 |
γ(degree) | 90 | 90 |
Resolution (Å) | 50-2.7 | 50-3.1 |
Unique reflections (outer shell) | 86090 (8181) | 63089 (5766) |
I/σ (outer shell) | 14.5 (3.6) | 17.0 (2.8) |
R sym (outer shell) | 0.086 (0.312) | 0.054 (0.390) |
Refinement | ||
Resolution range (Å) | 50-2.7 | 50-3.1 |
Number of reflections (|F| > 0) | 83501 | 60632 |
R work | 0.2249 | 0.2067 |
R free | 0.2366 | 0.2507 |
Total number of atoms | 29694 | 29983 |
RMSD | ||
Bond length (Å) | 0.02 | 0.011 |
Bond angles (degree) | 1.559 | 1.555 |
Ramachandran (%) | ||
Most favored | 92.57% | 91.05% |
Generously allowed | 6.79% | 8.35% |
Disallowed | 0.64% | 0.60% |