Table 2. Refinement statistics.
Resolution range of the reflection used | 50-1.20 Å |
No. of reflections used | 117,875 |
No. of least squares parameters | 41,196 |
Observations/parameters | 2.86 |
Solvent content fraction | 0.359 |
Vm | 1.92 Å3/Da |
No. of protein residues | 433 |
Occupancy sum of non-H atoms | 4,230.30 |
No. of water molecules | 533 |
Average temperature factors | |
Protein main chain | 16.65 Å2 |
Solvent and side chains | 24.44 Å2 |
R factor | 16.34% |
Goodness of fit (SHELX) | 2.085 |
Restrained goodness of fit | 1.737 |
Protein stereochemistry | |
rms bond lengths | 0.014 Å |
rms angle | 2.715 |
rms ΔBiso bonded | 2.92 |
Overall average G factor (PROCHECK) | -0.10 |