5EP2
Quorum-Sensing Signal Integrator LuxO - Catalytic Domain in Complex with AzaU Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 61 |
Unit cell lengths | 76.403, 76.403, 82.255 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.930 - 1.421 |
R-factor | 0.161 |
Rwork | 0.160 |
R-free | 0.18420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.580 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (phenix.refine: 1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.440 |
High resolution limit [Å] | 1.420 | 3.850 | 1.420 |
Rmerge | 0.058 | 0.041 | 0.731 |
Total number of observations | 596841 | ||
Number of reflections | 51124 | ||
<I/σ(I)> | 13.4 | ||
Completeness [%] | 99.5 | 97.4 | 93.1 |
Redundancy | 11.7 | 14.1 | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM Tris buffer pH 8.0, 4 M ammonium acetate |