3QP2

Crystal structure of CviR ligand-binding domain bound to C8-HSL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	298
Detector technology	CCD
Collection date	2009-02-27
Detector	ADSC QUANTUM 315
Spacegroup name	I 2 2 2
Unit cell lengths	55.580, 55.907, 124.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.407 - 1.638
R-factor	0.2017
Rwork	0.201
R-free	0.22270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qp1
RMSD bond length	0.006
RMSD bond angle	1.076
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.494	1.700
High resolution limit [Å]	1.638	1.640
Rmerge	0.060	0.498
Number of reflections	24191
<I/σ(I)>	15.9	2.194
Completeness [%]	99.5	99.5
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	296	100 mM Tris-Cl, 200 mM magnesium chloride, 25-35% w/v PEG3350, pH 9.0, VAPOR DIFFUSION, temperature 296K