4FQ9

Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-11-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9919
Spacegroup name	C 1 2 1
Unit cell lengths	146.790, 135.780, 111.010
Unit cell angles	90.00, 108.82, 90.00

Refinement procedure

Resolution	105.075 - 2.020
R-factor	0.1878
Rwork	0.187
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.490
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC (5.6.0119)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	105.075	105.075	2.070
High resolution limit [Å]	2.016	9.020	2.020
Rmerge		0.041	0.477
Total number of observations		4959	28543
Number of reflections	133404
<I/σ(I)>	8.5	11.9	1.5
Completeness [%]	98.6	98.2	98.3
Redundancy	3.2	3.2	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	18% PEG 3350, 0.12M Sodium Potassium Phosphate, 6.4% Hexanediol,100mM Sodium citrate pH 4.5, vapour diffusion, sitting drop, temperature 293K, VAPOR DIFFUSION, SITTING DROP