1JUS
Crystal structure of the multidrug binding transcriptional repressor QacR bound to rhodamine 6G
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-24 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 172.300, 172.300, 95.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.060 - 2.840 |
| Rwork | 0.230 |
| R-free | 0.27200 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| 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] | 83.200 | 2.910 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Number of reflections | 34367 | |
| <I/σ(I)> | 10.5 | 2.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.9 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | Ammonium sulphate,crystals were grown after the protein was reductively alkylated. All QacR-drug complexes were crystallized in this manner. Although not required, only small crystals are obtained otherwise and take several months to grow., pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
