6CC0

Crystal structure of QscR bound to C12-homoserine lactone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2014-07-01
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	57.591, 91.910, 93.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.802 - 2.500
R-factor	0.2116
Rwork	0.208
R-free	0.26990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3szt
RMSD bond length	0.007
RMSD bond angle	0.865
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.802	2.630
High resolution limit [Å]	2.350	2.480
Number of reflections	20134	2797
<I/σ(I)>	11.8	1.7
Completeness [%]	94.9	96.5
Redundancy	4	4.1
CC(1/2)		0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		278	0.2 M sodium formate, 20 w/v PEG 3350