Table 5. Refinement statistics.
Resolution range (Å) | 46.37–1.80 (1.86–1.80) |
R work | 0.190 (0.211) |
R free | 0.234 (0.269) |
No. of non-H atoms | |
Total | 9787 |
Macromolecules | 9004 |
Ligands | 20 |
Water | 763 |
No. of protein residues | 910 |
R.m.s.d., bonds (Å) | 0.016 |
R.m.s.d., angles (°) | 1.71 |
Average B factor (Å2) | |
Overall | 24 |
Macromolecules | 23.3 |
Ligands | 48 |
Solvent | 31 |