6UUT

Crystal structure of a high molecular weight 3-oxoacyl-ACP reductase (FabG) from Acinetobacter baumannii crystal form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 1 21 1
Unit cell lengths	64.599, 80.320, 76.579
Unit cell angles	90.00, 100.38, 90.00

Refinement procedure

Resolution	80.320 - 1.650
R-factor	0.2035
Rwork	0.202
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vp5
RMSD bond length	0.006
RMSD bond angle	0.759
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.320	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.077	0.296
Rmeas	0.093	0.354
Rpim	0.050	0.191
Number of reflections	92484	4543
<I/σ(I)>	8.2	3.6
Completeness [%]	99.8
Redundancy	3.2
CC(1/2)	0.995	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296.15	0.2M sodium malonate pH4.0 + 20% PEG 3350