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 |