Table 1.
Data collection and refinement statistics of open-gate KcsA
| KcsA open-gate soaked in 5 mM KCl | |||||
|---|---|---|---|---|---|
| 1.0 mM BaCl2 | 2.0 mM BaCl2 | 4.0 mM BaCl2 | 5.0 mM BaCl2 | 10.0 mM BaCl2 | |
| Wavelength (Å) | 0.9792 | 0.9792 | 0.9792 | 0.9792 | 0.9792 |
| Source | APS 24-ID-E | APS 24I-D-E | APS 24I-D-E | APS 24I-D-E | APS 24-ID-E |
| Resolution (Å) | 49.5–3.2 | 49.7–3.6 | 55.1–3.5 | 55.4–3.6 | 50.0–3.5 |
| Space group | I4 | I4 | I4 | I4 | I4 |
| Cell parameters | |||||
| (Å) | 156.5, 156.5, 73.9 | 157.3, 157.3, 74.3 | 155.9, 155.9, 74.3 | 156.9, 156.9, 73.6 | 158.2, 158.2, 74.2 |
| (°) | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 |
| Total reflections | 88,457 | 54,744 | 52,778 | 57,439 | 46,708 |
| Unique reflections | 14,339 | 10,574 | 10,740 | 10,018 | 11,509 |
| Multiplicity | 6.0 (5.8) | 5.2 (4.7) | 4.9 (4.8) | 5.7 (5.4) | 4.1 (4.0) |
| Completeness (%) | 99.1 (96.0) | 98.9 (95.6) | 98.5 (93.7) | 97.9 (91.4) | 98.9 (96.5) |
| Mean I/sigma(I) | 8.5 (1.5) | 5.3 (1.3) | 6.5 (1.1) | 7.2 (1.3) | 8.7 (1.3) |
| R-merge | 0.18 (1.36) | 0.29 (1.62) | 0.22 (1.38) | 0.26 (1.55) | 0.17 (1.09) |
| R-pim | 0.087 (0.61) | 0.15 (0.86) | 0.12 (0.79) | 0.12 (0.75) | 0.11 (0.71) |
| CC1/2 | 0.99 (0.47) | 0.98 (0.33) | 0.98 (0.33) | 0.99 (0.36) | 0.99 (0.36) |
| Reflections used in refinement | 14,333 | 10,565 | 10,734 | 10,014 | 11,504 |
| R-work/R-free | 0.17/0.24 | 0.18/0.23 | 0.20/0.24 | 0.19/0.24 | 0.19/0.25 |
| RMS bond length (Å)/angle (°) | 0.01/1.5 | 0.01/1.2 | 0.01/1.1 | 0.01/1.2 | 0.01/1.2 |
| Ramachandran favored (%) | 89.7 | 92.8 | 91.3 | 91.7 | 91.5 |
| Allowed (%) | 9.2 | 6.7 | 8.1 | 7.5 | 7.1 |
| Outliers (%) | 0.9 | 0.3 | 0.5 | 0.7 | 1.3 |
Values in parentheses are for highest-resolution shell.