Table 1. Data Collection and Refinement Statistics.
Data Collection | |
Wavelength (Å) | 1.0750 |
Space Group | P3221 |
Cell Dimensions | |
a,b,c (Å) | 108.28, 108.28, 213.77 |
α, β, γ (°) | 90.00, 90.00, 120.00 |
Molecules/asymmetric unit | 1 |
Resolution (Å) | 48.3–3.2 (3.3–3.2) |
Unique reflections | 24,321 |
Rmerge | 0.084 (1.6) |
I/σI | 16.4 (1.1) |
Completeness (%) | 99.8 (99.9) |
Redundancy | 5.8 (5.9) |
CC1/2 | 1 (0.49) |
Refinement | |
Number of nonhydrogen atoms | 3903 |
Rwork/Rfree (%) | 22.1/25.0 (35.6/39.8) |
Average B factor | 123 |
Root mean-squared deviation (rmsd) | |
Bond lengths (Å) | 0.011 |
Bond angles (°) | 1.8 |
Ramachandran analysis | |
Preferred regions (%) | 94.6 |
Allowed regions (%) | 4.8 |
Outliers (%) | 0.6 |
Statistics in parentheses indicate those for the highest resolution shell.