6T62

Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9796
Spacegroup name	P 43 21 2
Unit cell lengths	87.647, 87.647, 151.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.820 - 1.800
R-factor	0.1631
Rwork	0.162
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4afn
RMSD bond length	0.008
RMSD bond angle	1.348
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.820	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.063	0.890
Rmeas	0.071
Rpim	0.034	0.498
Number of reflections	51520	3200
<I/σ(I)>	18.6	2.2
Completeness [%]	93.7	95.2
Redundancy	8	7.7
CC(1/2)	0.999	0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	2.1M DL-Malic acid pH7