Table 1.
Data collection | |
Space group | C2 (C121) |
Unit cell (a, b, c, Å) | 115.01, 115.34, 68.51, 90, 108.1, 90 |
Resolution (Å) | 30.00 – 1.65 |
Unique reflections | 92,150 |
Fold of redundancy | 6.8 |
Completeness (%) | 90.9 (54.8a) |
Average I/δ | 13.2 (2.7a) |
Rmerge | 0.059 (0.285a) |
Structure refinement | |
R-factor | 0.203 |
R-free | 0.223 |
Reflections | 87,881(8781b) |
RMS deviation for bond (Å) | 0.005 |
Angle (degree) | 1.06 |
Average B-factor (Å2) | |
Protein(# of atoms) | 31.8 (5272) |
Waters(# of atoms) | 36.7 (404) |
Zn(# of atoms) | 26.8 (2) |
Mg(# of atoms) | 26.0 (2) |
Ramachandran plot statistics (%) as defined in CCP4 | |
Most favored regions | 91.7 |
Additionally allowed regions | 7.7 |
Generously allowed regions | 0.7 |
Disallowed regions | 0.0 |
For the resolution shell of 1.71–1.65 Å.
Reflections omitted for calculation of R-free.