4BO0

Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(4-methoxy-1- methylindazol-3-yl)-3-(2-methoxyphenyl)urea at 2.4A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-29
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	55.323, 108.730, 148.639
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.720 - 2.400
R-factor	0.25712
Rwork	0.255
R-free	0.29653
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bnw
RMSD bond length	0.011
RMSD bond angle	1.361
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.730	2.510
High resolution limit [Å]	2.400	2.400
Rmerge	0.070	0.540
Number of reflections	35336
<I/σ(I)>	14.7	3.2
Completeness [%]	98.8	99.3
Redundancy	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		0.24 M SODIUM MALONATE PH 7.0, 20% (W/V) PEG3350, 1MM 1-(4-METHOXY-1-METHYLINDAZOL-3-YL)-3-(2-METHOXYPHENYL)UREA, FINAL PROTEIN CONCENTRATION 6.7 MG/ML