9KA2

Crystal structure of beta-ketoacyl-ACP synthase FabH 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	2023-08-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9875
Spacegroup name	P 21 21 21
Unit cell lengths	64.267, 64.539, 164.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.570 - 1.500
R-factor	0.1859
Rwork	0.185
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.066
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.480	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.061	0.644
Rmeas	0.063	0.681
Rpim	0.018	0.218
Total number of observations	1354781	147409
Number of reflections	110558	15635
<I/σ(I)>	20.3	2.8
Completeness [%]	99.7
Redundancy	12.3	9.4
CC(1/2)	0.999	0.912

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