4JVD

Crystal structure of PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand NHQ

Experimental procedure

Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-01
Detector	ADSC QUANTUM 315r
Spacegroup name	P 65 2 2
Unit cell lengths	120.350, 120.350, 115.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.110 - 2.950
R-factor	0.20526
Rwork	0.203
R-free	0.25554
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.997
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.950
Rmerge	0.063
Number of reflections	10922
<I/σ(I)>	2.4
Completeness [%]	95.0
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	292	0.1M Tri sodium citrate pH 6.0, 0.1M Ammonium acetate, 3% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 292K