4M1J

Crystal structure of Pseudomonas aeruginosa PvdQ in complex with a transition state analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	120.948, 166.433, 94.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.000 - 1.800
R-factor	0.1636
Rwork	0.162
R-free	0.18780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.286
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.841
High resolution limit [Å]	1.699	1.699
Rmerge	0.124
Number of reflections	103032
Completeness [%]	99.7
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.05 M HEPES, 80 mM rubidium chloride, 9% PEG4000, 20% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K