Table 1.
Resolution range | 29.21–1.9 (1.968–1.9) |
Space group | P 1 21 1 |
Unit cell | 39.557, 103.04, 56.195, 90, 98.947, 90 |
Total reflections | 156,212 (15709) |
Unique reflections | 34,906 (3467) |
Multiplicity | 4.5 (4.5) |
Completeness (%) | 99.64 (99.77) |
Mean I/σ(I) | 14.63 (2.44) |
Wilson B-factor | 28.44 |
Rmerge | 0.05718 (0.5332) |
Rpim | 0.02973 (0.28) |
CC½ | 0.999 (0.849) |
CC* | 1 (0.958) |
Rwork | 0.2002 (0.3110) |
Rfree | 0.2432 (0.3382) |
Root mean square | |
Bonds | 0.005 |
Angles | 0.73 |
Ramachandran (%) | |
Favored | 97.70 |
Allowed | 2.30 |
Outliers | 0.00 |
Clashscore | 4.04 |
Average B-factor | 41.53 |
Macromolecules | 41.45 |
Ligands | 53.97 |
Solvent | 42.23 |