Table 2.
Refinement and model statistics
| KsNaxLS native, PDB code 6R6M | KsNaxLS C32M/C101M, PDB code 6R6N | KsNaxLS C32G/WT, PDB code 6R6O | |
|---|---|---|---|
| Resolution range (Å) | 65.2–1.75 | 65.7–2.0 | 65.7–1.9 |
| Completeness (%) | 98.8 | 99.5 | 99.5 |
| σ-Cutoff | None | None | None |
| No. of reflections, working set | 27949 | 17705 | 20427 |
| No. of reflections, test set | 1450 | 960 | 1081 |
| Final Rcryst | 0.188 | 0.200 | 0.182 |
| Final Rfree | 0.210 | 0.236 | 0.206 |
| ML-based coordinate error (Å) | 0.13 | 0.24 | 0.20 |
| No. of non-H atoms | |||
| Protein | 1632 | 1626 | 1620 |
| Heme groups | 86 | 86 | 86 |
| Water | 192 | 129 | 173 |
| Total | 1910 | 1841 | 1879 |
| RMSD | |||
| Bonds (Å) | 0.010 | 0.008 | 0.007 |
| Angles (°) | 0.972 | 1.063 | 0.979 |
| Average B factors (Å2) | |||
| Protein | 34.4 | 41.2 | 38.6 |
| Heme groups | 26.4 | 34.7 | 30.0 |
| Water | 40.0 | 44.0 | 45.5 |
| Ramachandran plot | |||
| Most favored (%) | 98.5 | 97.6 | 98.5 |
| Allowed (%) | 1.5 | 2.4 | 1.5 |
| Outliers (%) | 0.0 | 0.0 | 0.0 |