8JFH

Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori in an inactive form that priors the acyl substrate delivery

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	P 21 21 21
Unit cell lengths	67.942, 117.259, 142.258
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.240 - 1.800
R-factor	0.165
Rwork	0.164
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8jfg
RMSD bond length	0.011
RMSD bond angle	1.287
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.176	0.119	0.624
Rmeas	0.184	0.124	0.662
Rpim	0.051	0.034	0.219
Total number of observations	1287047
Number of reflections	106064	11099	10452
<I/σ(I)>	4.3
Completeness [%]	100.0	100	99.9
Redundancy	12.1	12.8	8.5
CC(1/2)	0.989	0.991	0.866

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