TABLE 3.
Data collection and refinement statisticsa
| Parameter | Value at: |
||
|---|---|---|---|
| Total resolution | Low resolution | High resolution | |
| Resolution range (Å) | 19.91–1.40 | 19.91–1.76 | 1.45–1.40 |
| Completeness (%) | 69.1 | 98.1 | 15 |
| I/σ<I> | 33.5 | 42.5 | 3.4 |
| CC1/2 (%) | 100 | 100 | 89.5 |
| Redundancy | 2 | 2 | 1.9 |
| Rmerge | 0.01 | 0.009 | 0.202 |
| Rmeas | 0.015 | 0.013 | 0.285 |
| Rpim | 0.01 | 0.009 | 0.202 |
| Refinement statistics | |||
| Resolution (Å) | 1.4 | ||
| No. of reflections | 67,298 | ||
| Rwork/Rfree | 0.171/0.190 | ||
| No. of atoms | |||
| Protein | 6,430 | ||
| Peptide | 162 | ||
| Ligand/ion | 154 | ||
| Water | 447 | ||
| Avg B factors | |||
| Protein | 20.0 | ||
| Peptide | 19.6 | ||
| Ligand/ion | 44.0 | ||
| Water | 34.1 | ||
| RMSDs | |||
| Bond length (Å) | 0.5 | ||
| Bond angle (°) | 0.68 | ||
| MolProbity score (percentile) | 99th | ||
| Ramachandran plot (%) | |||
| Favored regions | 98.15 | ||
| Allowed regions | 1.62 | ||
| Outliers | 0.23 | ||