4K2F

Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A08522488

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	113
Detector technology	CCD
Collection date	2012-01-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	C 2 2 21
Unit cell lengths	120.280, 166.020, 94.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.690 - 1.990
R-factor	0.16962
Rwork	0.168
R-free	0.20563
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l94
RMSD bond length	0.027
RMSD bond angle	2.047
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.700	2.100
High resolution limit [Å]	1.990	1.990
Rmerge	0.089	0.248
Number of reflections	60638
<I/σ(I)>	7.4	4.2
Completeness [%]	99.5	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10-15% PEG4000, 50-100 mM rubidium chloride, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K