3BR1
Crystal Structure of the Complex of Dequalinium Bound to QacR(E90Q), a Mutant of a Multidrug Binding Transcriptional Repressor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 170.226, 170.226, 93.577 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.920 - 3.310 |
| R-factor | 0.22206 |
| Rwork | 0.219 |
| R-free | 0.27722 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jt6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.823 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.060 | 3.490 |
| High resolution limit [Å] | 3.310 | 3.310 |
| Number of reflections | 21054 | |
| <I/σ(I)> | 8.9 | 2.01 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 273 | 1:1 10mg/ml protein with 2.3M Ammonium sulfate with 100mM Sodium Acetate pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 273K |
