5EP3
Quorum-Sensing Signal Integrator LuxO - Catalytic Domain Bound to CV-133 Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-12-06 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 |
Unit cell lengths | 76.527, 76.527, 82.259 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 21.394 - 1.800 |
R-factor | 0.1954 |
Rwork | 0.194 |
R-free | 0.23250 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.651 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.10-2155_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 22.000 | 22.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.870 | 1.800 |
Rmerge | 0.043 | 0.023 | 0.546 |
Total number of observations | 132416 | ||
Number of reflections | 25305 | ||
<I/σ(I)> | 20.5 | ||
Completeness [%] | 99.5 | 97.6 | 99.9 |
Redundancy | 5.2 | 5.4 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.4 M ammonium sulfate, 0.1 M HEPES pH 7.5 |