Table 3.
Number of reflections used (F > 0σ) | 62541 |
R-factor, 90% of all data | 20.3% |
Rfree, 10% of all data | 24.1% |
Total number of atoms | 6206 |
Number of protein atoms | 5610 |
Number of cofactor atoms | 192 |
Number of sulfate ions | 4 |
Number of water molecules | 504 |
r.m.s. deviation: | |
Bonds | 0.006 Å |
Angles | 1.3° |
Dihedrals | 23.4° |
Average B-factor: (Å2) | |
Protein atoms | 25.4 |
Cofactor atoms | 75.9 |
Water atoms | 31.4 |
Estimated error based on crossvalidated σA plots | 0.20 Å |