4ZO3

AidC, a Dizinc Quorum-Quenching Lactonase, in complex with a product N-hexnoyl-L-homoserine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	80
Detector technology	CCD
Collection date	2015-03-05
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	47.090, 47.870, 249.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.521 - 1.670
R-factor	0.1865
Rwork	0.184
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zo2
RMSD bond length	0.018
RMSD bond angle	1.164
Data scaling software	SCALA (3.3.21)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.521	34.521	1.760
High resolution limit [Å]	1.670	5.280	1.670
Rmerge		0.077	0.800
Rmeas	0.184
Rpim	0.076	0.036	0.858
Total number of observations	364755	13931	30006
Number of reflections	66783
<I/σ(I)>	6.7	13.7	1.4
Completeness [%]	99.9	99.3	99.7
Redundancy	5.5	6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	MgCl2.6H2O (0.2 M), Bis-Tris (0.1 M), pH 6.5, 25 % (w/v) PEG 3350