Table 2.
Data Collection and Refinement Statistics for Wild-Type FlK Structures
| apo-FlK | FlK-FAc | FlK open | |
|---|---|---|---|
| data collection | |||
| X-ray source | ALS 8.2.2 | ALS 8.3.1 | ALS 8.3.1 |
| space group | C2 | C2 | C2 |
| cell dimensions | |||
| a, b, c (Å) | 48.4, 90.9, 62.0 | 62.3, 92.4, 50.3 | 62.8, 90.7, 52.3 |
| α, β, γ (deg) | 90.0, 100.1, 90.0 | 90.0, 102.0, 90.0 | 90.0, 104.5, 90.0 |
| wavelength | 0.9901 | 1.116 | 1.116 |
| resolutiona | 29.96–1.85 (1.90–1.85) | 19.44–2.46 (2.50–2.46) | 19.77–1.95 (2.00–1.95) |
| Rmerge (%)a | 9.0 (60.1) | 10.6 (70.3) | 8.5 (60.4) |
| I/σIa | 12.25 (2.31) | 12.94 (2.14) | 14.01 (2.19) |
| completeness (%)a | 99.7 (99.8) | 99.5 (100) | 99.7 (99.7) |
| redundancya | 4.1 (4.1) | 4.1 (4.2) | 3.7 (3.7) |
| refinement | |||
| resolution | 29.96–1.85 | 19.44–2.46 | 19.77–1.95 |
| no. of reflections | 20926 | 10125 | 20623 |
| Rwork/Rfree | 0.201/0.231 | 0.194/0.240 | 0.188/0.220 |
| no. of atoms | 2306 | 2195 | 2182 |
| nonsolvent | 2065 | 2103 | 2068 |
| solvent | 241 | 92 | 114 |
| B-factors | |||
| protein | 29.2 | 38.3 | 23.4 |
| water | 43.4 | 39.0 | 30.2 |
| rmsd | |||
| bond lengths (Å) | 0.014 | 0.005 | 0.013 |
| bond angles (deg) | 1.24 | 0.97 | 1.58 |
a
Values in parentheses are for the highest resolution shell.