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 |