6RB3

Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqdC variant in complex with its substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-15
Detector	DECTRIS PILATUS3 R CdTe 300K
Wavelength(s)	0.97625
Spacegroup name	P 43 21 2
Unit cell lengths	96.644, 96.644, 190.138
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.535 - 2.300
R-factor	0.1978
Rwork	0.195
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ra2
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.535	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.040	0.189
Number of reflections	40828	3981
<I/σ(I)>	11.8
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.998	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M ammonium acetate, 0.1 M tri sodium citrate pH 5.6 and 30% PEG 4000