8JF9

Crystal structure of 3-oxoacyl-ACP reductase FabG 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	2022-05-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9875
Spacegroup name	P 2 21 21
Unit cell lengths	70.770, 113.925, 129.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.740 - 1.900
R-factor	0.1796
Rwork	0.177
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uut
RMSD bond length	0.010
RMSD bond angle	1.162
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	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.240	0.088	2.395
Rmeas	0.250	0.092	2.494
Rpim	0.069	0.026	0.692
Total number of observations	1058084
Number of reflections	82455	8592	8172
<I/σ(I)>	3.6
Completeness [%]	99.7	99	100
Redundancy	12.8	12.6	12.5
CC(1/2)	0.994	0.989	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M NaCl, 15% w/v PEG 6000