TABLE 1.
Data collection and refinement statistics
| Statistic | Valuea |
|---|---|
| Data collection | |
| Resolution limits (Å) | 25.0-1.8 (1.86-1.8) |
| No. of observations | 424,245 |
| Wavelength (Å) | 0.9786 |
| No. of unique reflections | 44,556 |
| Completeness (%) | 97.4 (87.6) |
| I/σ (I) | 25.0 (2.35) |
| Redundancy | 7.2 |
| Rsymmb | 0.066 (0.32) |
| Refinement | |
| Resolution limits (Å) | 20.0-1.8 |
| No. of molecules in the asymmetric unit | 1 |
| No. of protein atoms | 1,785 |
| No. of solvent molecules | 174 |
| No. of reflections (work/test) | 40,239/4,324 |
| Crystallographic Rwork/Rfreec | 0.198/0.224 |
| rmsd bond length (Å) | 0.006 |
| rmsd bond angle (°) | 1.22 |
| Mean temp factor (Å2) | 25.83 |
a
Values in parentheses correspond to the highest-resolution shell.
b
Rsymm = Σ|Iobs − Iavg|/Σ Iavg.
c
Crystallographic R factor = Σ||Fobs|(hkl) − |Fcalc|(hkl)|/Σ|Fobs|(hkl). The crystallographic R factor and Rfree values were computed for 90 and 10% of the data, respectively.