3BR3
Crystal Structure of the Complex of Ethidium 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 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-15 |
Detector | NOIR-1 |
Wavelength(s) | 1.0 |
Spacegroup name | P 62 |
Unit cell lengths | 104.148, 104.148, 98.564 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.000 - 2.800 |
R-factor | 0.22182 |
Rwork | 0.218 |
R-free | 0.29326 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jt6 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.800 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.040 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 15047 | |
<I/σ(I)> | 7.3 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.52 | 7.45 |
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 |