6N9Q

Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus bind to substrate C4-AHL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033200
Spacegroup name	H 3
Unit cell lengths	108.020, 108.020, 222.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.740 - 2.350
R-factor	0.16846
Rwork	0.166
R-free	0.21093
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6n9i
RMSD bond length	0.002
RMSD bond angle	0.567
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]	19.740	2.450
High resolution limit [Å]	2.350	2.350
Number of reflections	39818
<I/σ(I)>	12.41
Completeness [%]	98.9
Redundancy	7.35

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 3-oxo-C12 AHL for 5 min. Diffraction quality crystals appeared after 1 d at 292 K.