TABLE 2.
Refinement statistics
| Statistic | Value |
|---|---|
| Resolution range (Å) | 50-2.07 |
| Reflections (no.) for working set (test set) | 19,731 (1,038) |
| R factor (Rfree)a | 0.229 (0.245) |
| rms deviations from standard values | |
| Bond lengths (Å) | 0.023 |
| Bond angles (°) | 2.0 |
| Model details | |
| Protein atoms (no.) | 2,962 |
| Water molecules (no.) | 111 |
| SO42− ions (no.) | 2 |
| Avg B factor (Å2) | 26.6 |
| Residues in most favored region of Ramachandran plot (%) | 92.7 |
a
R = Σ∥Fobs|−|Fcalc∥/Σ|Fobs|, calculated for the 95% of data used in refinement. Rfree is the same as R but using only the 5% of data excluded from refinement.