Table 1. Crystallographic data collection and refinement statistics.
Unit cell dimensions (Å) | a = 39.089 b = 65.677 c = 105.689, α = β = γ = 90° |
Resolution (Å) | 30.00 −1.97 (2.02–1.97) |
Space group | P22121 |
Temp (K) | 100 |
Redundancy | 6.4 (5.8) |
Collected Reflections | 123113 |
Unique reflections | 19576 |
R sym (%) | 0.052 (0.340) |
I/sigma | 34.74 (4.87) |
R factor (%) | 20.05 |
R free (%) | 23.68 |
RMS bonds (Å) | 0.0049 |
RMS angle (°) | 1.260 |
% Completeness | 99.3 (95.3) |
Wilson B-Factor (Å2) | 29.8 |
Average B Value (Å2) | |
Chain A | 34.946 |
Chain B | 35.750 |
Chain C (peptide) | 27.106 |
Chain D (peptide) | 28.446 |
Water | 37.263 |
Number of Solvent Molecules | 85 |
Ramachandran Data | |
Favoured Region (%) | 94.6 |
Additionally Allowed Region (%) | 5.4 |
Generously Allowed Region (%) | 0 |
Disallowed Region (%) | 0 |
Parameters for highest resolution bin given in parenthesis.