9KA5

Crystal structure of beta-ketoacyl-ACP synthase FabH C112Q from E. coli

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	2023-08-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9875
Spacegroup name	P 41 21 2
Unit cell lengths	72.481, 72.481, 101.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.870 - 1.420
R-factor	0.1745
Rwork	0.174
R-free	0.19170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.099
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]	51.250	1.490
High resolution limit [Å]	1.420	1.420
Rmerge	0.051	0.495
Rmeas	0.052	0.529
Rpim	0.011	0.181
Total number of observations		60098
Number of reflections	53096	7436
<I/σ(I)>	28.3	2.9
Completeness [%]	100.0
Redundancy	21	8.1
CC(1/2)	1.000	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris Bicine, PH8.5, 10% w/v PEG 20000