5XHX

Crystal structure of VqsR LBD domain from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	I 2 2 2
Unit cell lengths	52.834, 135.198, 150.772
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.414 - 2.100
R-factor	0.2049
Rwork	0.203
R-free	0.23950
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.888
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Number of reflections	32086
<I/σ(I)>	26.04
Completeness [%]	99.9
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	0.01M Magnesium acetate tetrahydrate 0.05M Sodium cacodylate trihydrate pH 6.5 1.3M Lithium sulfate monohydrate