8JFI

Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-hexanoyl-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 PILATUS3 6M
Wavelength(s)	0.9875
Spacegroup name	C 2 2 21
Unit cell lengths	85.843, 252.650, 166.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.160 - 2.380
R-factor	0.2073
Rwork	0.206
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8jfh
RMSD bond length	0.013
RMSD bond angle	1.458
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]	126.330	2.560
High resolution limit [Å]	2.380	2.380
Rmerge	0.173	1.748
Number of reflections	117507	40240
<I/σ(I)>	10.6
Completeness [%]	91.4
Redundancy	11
CC(1/2)	0.997	0.457

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