Table 1.
Crystallographic data collection and refinement statistics of TetR in complex with the RNA aptamer K1
| TetR in complex with aptamer K1 | |
|---|---|
| Protein data bank accession number | 6SY4 |
| Data collection | |
| X-ray source | Beamline HZB Berlin MX 14.2 |
| Wavelength (Å) | 0.9184 |
| Space group | P 42212 |
| Cell dimensions | |
| a, b, c (Å) | 96.03, 96.03, 163.01 |
| α, β, γ (°) | 90, 90, 90 |
| Resolution range (Å) | 15.8–2.7 (2.8–2.7)a |
| Rmeas (%) | 20.5 (353.9) |
| CC1/2 | 0.999 (0.345) |
| CC* | 1.000 (0.716) |
| I/σI | 17.6 (1.0) |
| Completeness (%) | 99.3 (100.0) |
| Redundancy | 26.1 (25.2) |
| Wilson B-Factor (Å2) | 75.3 |
| Refinement | |
| Resolution (Å) | 15.7–2.7 |
| No. reflections | 21641 (2123) |
| R work/Rfree (%) | 20.1/24.6 |
| CCwork | 0.961 (0.615) |
| CCfree | 0.933 (0.546) |
| No. atoms | |
| Macromolecules | 3699 |
| Solvent | 19 |
| B-factors (Å2) | |
| Mean | 80.4 |
| Macromolecules | 80.5 |
| Solvent | 64.5 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.004 |
| Bond angles (°) | 0.800 |
| Ramachandran plot | |
| Favored (%) | 98.6 |
| Allowed (%) | 1.2 |
| Outliers (%) | 0.0 |
| Molprobity Clashscore | 3.6 |
aThe values for the highest resolution shell are reported in parentheses.