Table S2.
Data collection and refinement statistics (molecular replacement)
| Data collection | Li+ | Na+ | Rb+ | Cs+ | MA+ | DMA+ |
| PDB entry data collection | 4R50 | 4RAI | 4R8C | 4R6Z | 4RO2 | 4R7C |
| Space group | I 4 | I 4 | I 4 | I 4 | P2221 | P2221 |
| Cell dimensions | ||||||
| a, b, c (Å) | 67.57, 67.57, 88.53 | 67.65, 67.65, 86.77 | 67.31, 67.31, 84.29 | 68.17, 68.17, 90.40 | 67.70, 91.04, 67.62 | 67.68, 89.89, 67.62 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 33.78–2.85 (3.00–2.85) | 53.35–2.31 (2.43–2.31) | 47.59–2.50 (2.64–2.50) | 54.43–2.30 (2.42–2.30) | 47.84–2.7 (2.85–2.7) | 47.84–2.3 (2.39–2.3) |
| Rmerge | 0.148 (0.38) | 0.096 (0.43) | 0.063 (0.43) | 0.114 (0.43) | 0.096 (0.39) | 0.071 (0.46) |
| I/σI | 5.1 (1.9) | 2.9 (1.7) | 6.1 (1.6) | 3.1 (1.7) | 5.8 (1.7) | 9.56 (2.1) |
| Completeness (%) | 99.9 (100) | 99.3 (99.9) | 100 (100) | 98.9 (98.9) | 100 (100) | 99.6 (99) |
| Redundancy | 5.8 (6.1) | 3.9 (4.1) | 3.6 (3.6) | 3.6 (3.6) | 5.2 (5.0) | 4.3 (4.2) |
| Refinement | ||||||
| Resolution (Å) | 2.85 | 2.31 | 2.5 | 2.3 | 2.7 | 2.3 |
| No. reflections | 27392 (4212) | 33470 (5079) | 37293 (5491) | 33281 (4843) | 62622 (8561) | 80342 (7433) |
| Rwork/Rfree | 0.125/0.183 | 0.144/0.215 | 0.204/0.257 | 0.152/0.182 | 0.248/0.283 | 0.207/0.248 |
| No. atoms | ||||||
| Protein | 1376 | 1374 | 1281 | 1361 | 1400 | 2669 |
| Ligand/ion | 30 | 97 | 72 | 81 | 139 | 292 |
| Water | 56 | 40 | 27 | 64 | 52 | 69 |
| B factors | ||||||
| Protein | 39.61 | 42.91 | 55.14 | 44.15 | 44.85 | 44.56 |
| Ligand/ion | 52.48 | 61.78 | 81.98 | 68.31 | 60.54 | 56.95 |
| Water | 29.59 | 45.95 | 70.41 | 49.63 | 42.00 | 47.60 |
| Rms deviations | ||||||
| Bond lengths (Å) | 0.0132 | 0.0146 | 0.0168 | 0.0289 | 0.0107 | 0.0185 |
| Bond angles (°) | 1.5637 | 1.7418 | 1.6726 | 2.1084 | 1.5161 | 1.8628 |