6UUV

Crystal structure of a high molecular weight 3-oxoacyl-ACP reductase (FabG) from Acinetobacter baumannii crystal form 1

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)	0.95366
Spacegroup name	P 1
Unit cell lengths	59.190, 63.650, 64.358
Unit cell angles	69.70, 65.45, 76.63

Refinement procedure

Resolution	48.710 - 1.800
R-factor	0.183
Rwork	0.181
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vp5
RMSD bond length	0.007
RMSD bond angle	0.796
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]	48.710	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.069	0.399
Rmeas	0.082	0.487
Rpim	0.044	0.273
Number of reflections	71417	4191
<I/σ(I)>	9.5	2.7
Completeness [%]	96.6
Redundancy	3.4
CC(1/2)	0.996	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296.15	0.1M HEPES pH7.5, 10% v/v 2-Propanol, 20% PEG 4000