1JTX
Crystal structure of the multidrug binding transcriptional regulator QacR bound to crystal violet
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 | 2000-12-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 172.900, 172.900, 95.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.970 - 2.850 |
| R-factor | 0.228 * |
| Rwork | 0.227 |
| R-free | 0.28600 * |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1jus |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.430 * |
| 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] | 63.970 | 2.920 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.064 * | 0.449 |
| Total number of observations | 340448 * | |
| Number of reflections | 34304 | |
| <I/σ(I)> | 8.5 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.9 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7.5 | 298 | Ammonium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | glycine | 200 (mM) | |
| 2 | 1 | drop | protein | 15 (mg/ml) | |
| 3 | 1 | reservoir | Tris | 25 (mM) | pH7.5 |
| 4 | 1 | drop | imidazole | 50 (mM) | |
| 5 | 1 | drop | 300 (mM) | ||
| 6 | 1 | drop | glycerol | 5 (%) |
