8B72

Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with Z30857828

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91587
Spacegroup name	C 1 2 1
Unit cell lengths	113.254, 142.382, 78.236
Unit cell angles	90.00, 114.05, 90.00

Refinement procedure

Resolution	71.550 - 1.870
R-factor	0.1883
Rwork	0.186
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cl6
RMSD bond length	0.009
RMSD bond angle	1.602
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.550	1.970
High resolution limit [Å]	1.870	1.870
Rmerge	0.046	1.115
Number of reflections	92452	13512
<I/σ(I)>	10.8	0.9
Completeness [%]	99.7
Redundancy	3.5
CC(1/2)	0.990	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	PEG 4000, Ammonium sulfate, sodium citrate