6CGZ

Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to C6-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	2017-10-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03312
Spacegroup name	C 1 2 1
Unit cell lengths	145.940, 88.690, 97.680
Unit cell angles	90.00, 128.24, 90.00

Refinement procedure

Resolution	57.310 - 1.800
R-factor	0.1649
Rwork	0.163
R-free	0.19241
RMSD bond length	0.010
RMSD bond angle	1.343
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.310	1.900
High resolution limit [Å]	1.800	1.800
Number of reflections	90111	13463
<I/σ(I)>	18.27
Completeness [%]	99.2	99.3
Redundancy	4.2	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	292	Purified and concentrated AaL samples (10 mg ml) were subjected to crystallization trialsCrystals appeared after 1 d at 292 K in a condition consisting of 0.45M ammonium chloride, 16% polyethylene glycol 3350. Seeding was performed as described previously (PMID: 28777091)