8Z5C

Cystal structure of beta-ketoacyl-ACP synthase FabF 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 PILATUS 6M
Wavelength(s)	0.9875
Spacegroup name	P 21 21 21
Unit cell lengths	76.608, 95.382, 113.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.700 - 1.850
R-factor	0.1595
Rwork	0.158
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.203
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.850	4.010	1.860
Rmerge	0.181	0.146	0.871
Rmeas	0.188	0.153	0.907
Rpim	0.052	0.043	0.252
Number of reflections	71612	7526	7058
<I/σ(I)>	4.9
Completeness [%]	100.0	100	100
Redundancy	12.9	12.7	12.8
CC(1/2)	0.983	0.975	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M Tris, pH7.5, 25% w/v PEG 4000, and 10 mM Rubidium chloride