3BR2
Crystal Structure of the Complex of Dequalinium Bound to QacR(E120Q), 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 | 2005-01-14 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 171.601, 171.601, 94.329 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.980 - 2.900 |
| R-factor | 0.24957 |
| Rwork | 0.247 |
| R-free | 0.29348 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jt6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.881 |
| 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] | 44.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 31649 | |
| <I/σ(I)> | 5.9 | 1.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.5 | 8 |
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 |
