7KRM

Putative FabG bound to NADH from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-06-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	H 3
Unit cell lengths	189.872, 189.872, 71.981
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.910 - 1.900
R-factor	0.1516
Rwork	0.150
R-free	0.17390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7krk
RMSD bond length	0.002
RMSD bond angle	0.435
Data reduction software	Aimless
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.910	1.940
High resolution limit [Å]	1.900	1.900
Number of reflections	76202	4540
<I/σ(I)>	12.2
Completeness [%]	99.9
Redundancy	4.3
CC(1/2)	0.997	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	0.1 M sodium acetate trihydrate, pH 4.6, 2 M sodium formate