3MQO
The Crystal Structure of the PAS domain in complex with isopropanol of a Transcriptional Regulator in the LuxR family from Burkholderia thailandensis to 1.7A
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 | 2010-04-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 57.615, 35.746, 67.096 |
Unit cell angles | 90.00, 91.99, 90.00 |
Refinement procedure
Resolution | 31.540 - 1.700 |
R-factor | 0.226 |
Rwork | 0.225 |
R-free | 0.24100 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.221 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.071 | 0.056 | 0.458 |
Number of reflections | 29569 | ||
<I/σ(I)> | 9.8 | ||
Completeness [%] | 97.2 | 95.9 | 96.3 |
Redundancy | 3.8 | 3.5 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 20% Iso-propanol, 20% PEG 4000, 0.1M Sodium citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |