Table 1. Data collection and refinement statistics.
Data Collection | |
---|---|
Space Group | I432 |
Cell Dimensions (Å) | |
a, b, c (Å) | 184.58 |
α, β, γ (°) | 90.00 |
Resolution (Å) | 2.7 |
Rsym (%) | 4.3(60) |
I/σI | 16.5(2.1) |
Completeness (%)* | 98.9(94.4), 98.9(100) |
Redundancy | 4.7(4.7) |
Refinement | |
Resolution range (Å) | 50-2.7 |
No. of reflections | 14,902 |
Rfactor (%) | 21.4 |
Rfree (%) | 23.7 |
Total Protein Atoms | 1,791 |
Total Water Molecules | 10 |
RMSD | |
Bond lengths | 0.009 |
Bond angles | 1.089 |
Ramachandran (%) | |
Favored | 98.7 |
Allowed | 1.3 |
Outliers | 0 |
B-factors | |
All | 92 |
Main Chain | 87 |
Side Chain | 96 |
Solvent | 70 |
Numbers in parenthesis describe data in the highest resolution bin (2.79-2.70 Å)
For completeness two sets of numbers are given. The first are completeness of data used in refinement (including the test set). The second are completeness from data reduction.