6CH0

Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to a glycerol molecule

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	110.840, 113.500, 79.100
Unit cell angles	90.00, 108.91, 90.00

Refinement procedure

Resolution	74.830 - 2.150
R-factor	0.18748
Rwork	0.185
R-free	0.22926
RMSD bond length	0.006
RMSD bond angle	1.048
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]	74.830	2.250
High resolution limit [Å]	2.150	2.150
Number of reflections	50025	6321
<I/σ(I)>	11.71
Completeness [%]	99.3	99
Redundancy	4.35	4.52

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)