1JUP
Crystal structure of the multidrug binding transcriptional repressor QacR bound to malachite green
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2000-11-23 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 174.200, 174.200, 96.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.600 - 2.950 |
R-factor | 0.238 |
Rwork | 0.238 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jus |
RMSD bond length | 0.016 |
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] | 64.600 | 3.100 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.089 | |
Number of reflections | 26023 | |
<I/σ(I)> | 11 | 2.4 |
Completeness [%] | 86.8 | 78 |
Redundancy | 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 |