1JUM
Crystal structure of the multidrug binding transcriptional repressor QacR bound to the natural drug berberine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-12-29 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 174.300, 174.300, 96.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.290 - 2.980 |
| Rwork | 0.236 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jus |
| RMSD bond length | 0.104 |
| RMSD bond angle | 1.600 |
| Data reduction software | bioteX |
| Data scaling software | bioteX |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.290 | 3.050 |
| High resolution limit [Å] | 2.980 | 2.980 |
| Rmerge | 0.105 | 0.252 |
| Number of reflections | 32199 | |
| <I/σ(I)> | 10.2 | 2.2 |
| Completeness [%] | 85.3 | 69 |
| Redundancy | 4.1 | 3 |
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 |
