4K2G

Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A33442372

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	113
Detector technology	CCD
Collection date	2012-10-02
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.541870
Spacegroup name	C 2 2 21
Unit cell lengths	120.335, 165.508, 93.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.490 - 2.300
R-factor	0.19427
Rwork	0.191
R-free	0.24845
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l94
RMSD bond length	0.022
RMSD bond angle	1.841
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]	15.500	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.081	0.369
Number of reflections	37739
<I/σ(I)>	8.1	2.1
Completeness [%]	94.9	94.6

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