3SZT
Quorum Sensing Control Repressor, QscR, Bound to N-3-oxo-dodecanoyl-L-Homoserine Lactone
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 | 2009-07-22 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 94.862, 94.862, 104.953 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 2.550 |
| R-factor | 0.2249 |
| Rwork | 0.223 |
| R-free | 0.26594 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SCRWL MODEL OF AHL AND DNA-BINDING DOMAINS OF TRAR |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.295 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.052 | 0.410 |
| Number of reflections | 19230 | |
| <I/σ(I)> | 40 | 4.8 |
| Completeness [%] | 100.0 | 99.6 |
| Redundancy | 11.9 | 12.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.83 | 277 | 0.168 M magnesium acetate, 21.8% PEG8000, 0.1 M Tris, pH 7.83, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
