Table 1.
Data Collection and Refinement Statistics
Data Collection | |
Wavelength (Å) | 0.9792 |
Space Group | P21 |
Cell Dimensions | |
a,b,c (Å) | 53.18, 80.78, 183.67 |
α, β, γ (°) | 90.00, 95.73, 90.00 |
Molecules/asymmetric unit | 2 |
Resolution (Å) | 43.9-3.2 (3.26-3.20)* |
Rmerge | 0.087 (>1.0) |
I/σI | 16.1 (1.1) |
Completeness (%) | 94.7 (89.9) |
Redundancy | 5.4 (5.1) |
Unique reflections | 24,248 |
Refinement | |
Number of nonhydrogen atoms | 9082 |
Rwork/Rfree (%) | 25.6/29.6 |
Average B factor | 148 |
Root mean-squared deviation (rmsd) | |
Bond lengths (Å) | 0.005 |
Bond angles (°) | 1.0 |
Ramachandran analysis | |
Preferred regions (%) | 94.34 |
Allowed regions (%) | 4.67 |
Outliers (%) | 0.99 |
Values in parenthesis are for highest-resolution shell.