8JFA

Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADPH 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	C 1 2 1
Unit cell lengths	139.093, 79.435, 151.951
Unit cell angles	90.00, 106.92, 90.00

Refinement procedure

Resolution	46.410 - 2.550
R-factor	0.2365
Rwork	0.235
R-free	0.27140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uut
RMSD bond length	0.010
RMSD bond angle	1.363
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	145.380	2.690
High resolution limit [Å]	2.550	2.550
Rmerge	0.108	0.704
Rmeas	0.120	0.781
Rpim	0.051	0.331
Total number of observations	273613	40626
Number of reflections	51590	7489
<I/σ(I)>	8.7	2.4
Completeness [%]	99.8
Redundancy	5.3	5.4
CC(1/2)	0.993	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M NaCl, 0.1 M MES pH 6.0, 10% w/v PEG 8000