Table 1.
Data collection and processing statistics
| Data Collection | |
| PDB ID | 6ASV |
| Beamline | NE-CAT 24-ID-C |
| Resolution range (Å)a | 2.22–83.54 (2.22–2.26) |
| Wavelength (Å) | 0.97910 |
| Space Group | C2221 |
| Unit Cell Dimensions | |
| a, b, c (Å) | 104.8, 138.4, 137.4 |
| α, β, γ | 90, 90, 90 |
| Measured reflections | 233,926 |
| Unique reflections | 49,727 |
| Mean I/σ | 20.5 (1.8) |
| Completeness (%) | 99.3 (95.1) |
| Redundancy | 4.7 (4.4) |
| Rmerge (%) | 4.7 (42.3) |
| Data Refinement | |
| Resolution Range (Å) | 2.22–50.0 (2.22–2.26) |
| Total reflections | 47,214 |
| Test set | 2485 |
| Rwork | 17.89 |
| Rfree | 21.22 |
| No. of protein atoms | 6895 |
| No. of phosphate atoms | 32 |
| No. of water atoms | 298 |
| RMSD from ideal | |
| Bonds (Å) | 0.005 |
| Angles (°) | 1.013 |
| Mean B factor (Å2) | 52.15 |
| Ramachandran | |
| Favored (%) | 96.04 |
| Outliers (%) | 0.33 |
| Clashscoreb | 2.66 (100) |
aNumbers in parentheses correspond to values for the highest resolution shell
bValue calculated by MolProbity – value in parentheses corresponds to percentile (100% is best) when compared to a representative set of structures of comparable resolution [30]