8JFG

Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9875
Spacegroup name	C 2 2 21
Unit cell lengths	85.420, 246.930, 166.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.560 - 2.830
R-factor	0.257
Rwork	0.256
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8jf9
RMSD bond length	0.011
RMSD bond angle	1.612
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.560	2.900
High resolution limit [Å]	2.830	2.830
Rmerge	0.146	1.840
Rmeas	0.157	1.974
Rpim	0.057	0.705
Total number of observations	310751	23303
Number of reflections	41901	3070
<I/σ(I)>	11.8	1.4
Completeness [%]	99.0
Redundancy	7.4	7.6
CC(1/2)	0.998	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M Imidazole pH 7.0, 30% v/v MPD