1JT6
Crystal structure of the multidrug binding protein QacR bound to dequalinium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-12-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 172.000, 172.000, 94.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.000 - 2.540 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.25600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | QacR-R6G structure minus R6G |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.600 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.000 | 2.610 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.065 | 0.410 |
| Number of reflections | 50664 | |
| <I/σ(I)> | 9 | 2.1 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 7.1 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | Ammonium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
