Table 1. Crystallographic Data Collection and Statistics.
Data Collection Statistics | |
Wavelength (Å) | 1.54 |
Diffraction resolution (Å) | 50.0–2.8 (2.9–2.8) |
Measured reflections (n) | 175,642 |
Unique reflections | 47,774 |
Completeness (%) | 90.5 (80.6) |
Redundancy | 3.7 |
I/σ(I) | 27.1/12.6 (2.2) |
Rsym | 0.134 (0.312) |
Space group | P21 |
a (Å) | 81.7 |
b (Å) | 163.7 |
c (Å) | 89.0 |
α = γ (°) | 90.0 |
β (°) | 94.2 |
Refinement Statistics | |
No. of atoms | 13,944 |
No. waters | 47 |
Rwork/Rfree (%) | 21.5/25.6 |
RMSD bond length (Å) | 0.005 |
RMSD bond angle (°) | 0.753 |
Average B-factor (Å2) | 45.5 |
Ramachandran Plot | |
Core (%) | 93.8 |
Allowed (%) | 6.2 |
Disallowed (%) | 0 |
Values in parentheses are for the highest resolution bin. RMSD, root-mean-square deviation.