6V7U

Structure of a phage-encoded quorum sensing anti-activator, Aqs1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	105
Detector technology	CCD
Collection date	2016-07-19
Detector	RAYONIX MX-300
Wavelength(s)	0.9796
Spacegroup name	P 31 2 1
Unit cell lengths	66.410, 66.410, 73.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.250 - 2.080
R-factor	0.2156
Rwork	0.213
R-free	0.25740
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.693
Data scaling software	XDS (1.14_3260)
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.250	2.289
High resolution limit [Å]	2.080	2.080
Number of reflections	12983	1290
<I/σ(I)>	13.81
Completeness [%]	99.5	99.3
Redundancy	10.8
CC(1/2)	0.998	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	1M NaH2PO4/K2HPO4, pH 5.6 and 15% glycerol