3MQQ
The Crystal Structure of the PAS domain in complex with Ethanol of a Transcriptional Regulator in the LuxR family from Burkholderia thailandensis to 1.65A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 57.438, 35.726, 66.986 |
| Unit cell angles | 90.00, 91.49, 90.00 |
Refinement procedure
| Resolution | 33.480 - 1.650 |
| R-factor | 0.225 |
| Rwork | 0.224 |
| R-free | 0.25700 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.318 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
| Rmerge | 0.085 | 0.072 | 0.627 |
| Number of reflections | 32890 | ||
| <I/σ(I)> | 8.8 | ||
| Completeness [%] | 99.2 | 96.5 | 99 |
| Redundancy | 3.7 | 3.5 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 30% ethanol, 20% PEG 4000, 0.1M Sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
