Table 2.
Model refinement statistics
Resolution (Å) | 37.2-2.00 |
Rwork | 0.168 |
Rfree | 0.209 |
No. reflections; refinement/test set | 40,320/2,141 |
RMSD bonds (Å) | 0.01 |
RMSD angles (°) | 1.2 |
No. atoms (protein/ligand+metal/solvent) | 4,283/82/221 |
Residues in favored regions (%)a | 98.1 |
Residues in allowed regions (%)a | 100 |
TLS groups (residues)b | 207-325, 326-377, 378-469, 470-601, 602-736 |
Mean Biso + BTLS protein atoms (Å2) | 38.1 |
Mean Biso ligand+metal atoms (Å2) | 40.2 |
Mean Biso solvent atoms (Å2) | 24.2 |
PDBID | 3KFL |