Table 2. Refinement statistics.
Resolution, Å | 27–1.44 |
Total reflections used | 7,873 |
Reflections in working set | 7,239 |
Reflections in test set (8%) | 634 |
Rcryst/Rfree, % | 14.5/17.1 |
Protein atoms | 256 |
Ligand atoms | 8 |
Water molecules | 64 |
rmsd bonds, Å | 0.024 |
rmsd angles, ° | 2.1 |
Average B factor (including metals), Å2 | 12.9 |
rmsd, rms deviation.