4BO4

Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2-methoxyphenyl)-3,4- dihydro-2H-quinoline-1-carboxamide at 2.7A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-06
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	55.420, 108.610, 148.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.950 - 2.700
R-factor	0.20884
Rwork	0.206
R-free	0.25963
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bnw LIGAND-FRE
RMSD bond length	0.010
RMSD bond angle	1.381
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.820	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.100	0.490
Number of reflections	25271
<I/σ(I)>	9.1	2.5
Completeness [%]	99.7	100
Redundancy	3.9	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		0.1M HEPES PH 7.0, 1M SUCCINIC ACID, 1% (W/V) PEG MME 2000, 1MM N-(2-METHOXYPHENYL)-3,4- DIHYDRO-2H-QUINOLINE-1-CARBOXAMIDE, FINAL PROTEIN CONCENTRATION 5 MG/ML