TABLE 1.
Data collection and structure refinement statistics for KirBac3.1 S129R/S205L (PDB ID 4LP8)
| Space group | P4212 |
| Cell dimensions (Å) | 105.65, 105.65, 89.90 |
| Cell angles | 90.00°, 90.00°, 90.00° |
| Resolution (highest shell) | 24.82-2.46 (2.59-2.46) |
| Rmeas (highest shell) | 0.223 (1.078) |
| I/σI (highest shell) | 6.8 (2.0) |
| Multiplicity (highest shell) | 9.0 (9.0) |
| Completeness for range (highest shell; %) | 100.0 (99.99) |
| Refinement | |
| Resolution (highest shell) | 24.82-2.46 (2.59-2.46) |
| No. of reflections (highest shell) | 19,036 (2704) |
| R/Rfree (%) | 18.30/24.82 |
| No. of protein atoms | 2244 |
| No. of ligand/ion atoms | 205 |
| No. of water atoms | 187 |
| B-factors (Å2) | |
| Protein | 49.85 |
| Water | 56.56 |
| Inorganic | 53.33 |
| Heterogen | 61.02 |
| r.m.s.d.a | |
| Bond lengths (Å) | 0.010 |
| Angles | 1.10° |
a r.m.s.d., root mean square deviation.