9AYT

Structure of the quorum quenching lactonase GcL bound to N-hexanoyl-L-homoserine lactone

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	2016-11-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033199
Spacegroup name	H 3
Unit cell lengths	108.500, 108.500, 228.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	76.170 - 2.100
R-factor	0.19358
Rwork	0.192
R-free	0.22039
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.687
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.170	2.200
High resolution limit [Å]	2.100	2.100
Number of reflections	58454	7610
<I/σ(I)>	9.75	2.33
Completeness [%]	99.8
Redundancy	6.25
CC(1/2)	0.996	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	1.0 - 1.25 M ammonium sulfate and 0.1 M sodium acetate pH 4.0 - 5.5