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 |