3BQZ
Crystal Structure of the Complex of Malachite Green 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 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 62 |
Unit cell lengths | 104.387, 104.387, 97.184 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.200 - 2.170 |
R-factor | 0.22545 |
Rwork | 0.224 |
R-free | 0.25355 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jt6 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.989 |
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] | 45.200 | 2.230 |
High resolution limit [Å] | 2.170 | 2.170 |
Number of reflections | 31776 | |
<I/σ(I)> | 7.4 | 1.8 |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.5 | 5.3 |
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 |