Table 1 Data collection and refinement statistics.
Data collection | AtPRK3 extracellular domain |
|---|---|
Native | |
Beam line | APS 22-ID |
Wavelength (Å) | 1.0000 |
Space group | P42 |
Cell dimensions a, b, c (Å), α, β, γ (°) | 72.061 72.061 125.677, 90 90 90 |
Resolution (Å) | 50–2.496 (2.585–2.496) |
Total reflections | 167703 (15824) |
Unique reflections | 22282 (2214) |
Redundancy | 7.5 (7.1) |
Completeness (%) | 99.83 (99.86) |
I/σ | 24.52 (4.75) |
CC1/2 | 0.999 (0.943) |
CC* | 1 (0.985) |
R-meas (%) | 0.07334 (0.4684) |
R-pim (%) | 0.02655 (0.1723) |
R-merge (%) | 0.06831 (0.4351) |
Refinement | |
Resolution range (Å) | 39.578–2.496 (2.585–2.496) |
Reflections used in refinement | 22267 (2214) |
Reflections used in R-free | 1089 (113) |
Number of non-hydrogen atoms | 3357 |
R(work) | 0.2380 (0.2536) |
R(free) | 0.2738 (0.3319) |
CC(work) | 0.922 (0.840) |
CC(free) | 0.902 (0.684) |
Mean B-factor (Å2), overall | 53.56 |
Bonds (Å) | 0.008 |
Angles (°) | 1.18 |
Ramachandran Favored (%) | 92.48 |
Ramachandran Allowed (%) | 7.04 |
Ramachandran Outliers (%) | 0.49 |
