9KA6

Crystal structure of beta-ketoacyl-ACP synthase FabH C112Q in complex with acyl-ACP 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	2023-08-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	C 2 2 21
Unit cell lengths	93.464, 143.325, 140.727
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.140 - 1.470
R-factor	0.1588
Rwork	0.158
R-free	0.17830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.981
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.410	1.550
High resolution limit [Å]	1.470	1.470
Rmerge	0.063	0.612
Rmeas	0.065	0.663
Rpim	0.019	0.247
Total number of observations	1782424	131670
Number of reflections	154731	19915
<I/σ(I)>	21.8	2.6
Completeness [%]	96.7
Redundancy	11.5	6.6
CC(1/2)	1.000	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.0M sodium chloride,0.1M HEPES PH7.0