Table 1.
Data collection, refinement statistics and validation
| Data set | camphor-free, low [K+] | camphor-free, 200 mM [K+] | camphor-bound, low [K+] |
|---|---|---|---|
| Data collection | |||
| wavelength (Å) | 0.979 | 0.979 | 0.0979 |
| unit cell (Å) | 65.6, 73.5, 91.9 | 65.6, 73.8, 92.4 | 35.4, 98.2, 54.2 |
| β = 103.9 | |||
| space group | P212121 | P212121 | P21 |
| resolution range (Å) | 49.0–1.70 (1.79–1.70)a | 46.2–1.50 (1.58–1.50)a | 27.8–1.50 (1.58–1.50)a |
| No. of total reflections | 175296 | 506840 | 211818 |
| No. of unique reflections | 49496 | 72274 | 57384 |
| Completeness (%) | 99.8 (99.9) | 99.7 (100.0) | 100.0 (100.0) |
| Rmerge (%) | 6.2 (41.7) | 6.0 (54.1) | 6.6 (52.9) |
| <I/σ(I)> | 13.6 (2.9) | 19.4 (3.9) | 12.8 (2.3) |
| Wilson B-value (Å2) | 17.8 | 17.6 | 14.2 |
| Refinement statistics | |||
| resolution range (Å) | 10–1.7 | 10–1.5 | 10–1.5 |
| No. of reflections used | 46706 | 68435 | 54283 |
| Free R reflections (%) | 5.0 | 5.0 | 5.0 |
| R/Rfree | 0.190/0.224 | 0.197/0.216 | 0.164/0.196 |
| rmsd bond length (Å) | 0.0121 | 0.0093 | 0.0096 |
| rmsd bond angle (deg) | 1.377 | 1.284 | 1.407 |
| Ramachandran analysis (%) | |||
| No. of residues in | |||
| favored regions | 98.5 | 99.0 | 98.5 |
| allowed regions | 1.5 | 1.0 | 1.5 |
| outlier regions | 0.0 | 0.0 | 0.0 |
| PDB entry | 3L62 | 3L61 | 3L63 |
a
Data for the outermost shell are given in the parentheses