6N9R
Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus bound to substrate 3-oxo-C12-AHL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.03333 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 145.010, 108.590, 78.600 |
Unit cell angles | 90.00, 115.75, 90.00 |
Refinement procedure
Resolution | 70.800 - 1.750 |
R-factor | 0.17894 |
Rwork | 0.176 |
R-free | 0.23481 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6n9i |
RMSD bond length | 0.002 |
RMSD bond angle | 0.595 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.800 | 1.850 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmeas | 0.059 | 0.480 |
Number of reflections | 109519 | 16825 |
<I/σ(I)> | 15.21 | 3.32 |
Completeness [%] | 99.2 | 99.5 |
Redundancy | 3.98 | 4.07 |
CC(1/2) | 0.999 | 0.947 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | Concentrated protein samples 10mg.mL-1, ammonium sulfate 1 to 2.25M, 0.1M sodium acetate. Soaking in 20 mM of C12 AHL for 5 min. Diffraction quality crystals appeared after 1 d at 292 K |