6WPR

Crystal structure of a putative 3-oxoacyl-ACP reductase (FabG) with NADP(H) from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-07-28
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95370
Spacegroup name	P 43 21 2
Unit cell lengths	87.430, 87.430, 151.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.910 - 1.850
R-factor	0.162
Rwork	0.161
R-free	0.19050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uds
RMSD bond length	0.011
RMSD bond angle	1.073
Data reduction software	MOSFLM (1.17.1_3660)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.550	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.077	0.584
Rmeas	0.080	0.606
Rpim	0.021	0.158
Number of reflections	51013	3085
<I/σ(I)>	26.3	4.9
Completeness [%]	100.0
Redundancy	14.3
CC(1/2)	1.000	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296.15	0.1 M Tris, pH 8.0, 2 M ammonium sulfate