9KA7

Crystal structure of beta-ketoacyl-ACP synthase FabH C112Q in complex with malonyl-ACP from E. coli

This is a non-PDB format compatible entry.

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	2023-08-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9875
Spacegroup name	C 2 2 21
Unit cell lengths	93.679, 143.305, 140.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.460 - 2.300
R-factor	0.1663
Rwork	0.164
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.962
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	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.219	0.113	0.640
Rmeas	0.229	0.118	0.675
Rpim	0.064	0.033	0.207
Total number of observations	520041
Number of reflections	42002	4429	4066
<I/σ(I)>	3.1
Completeness [%]	99.4	100	97.2
Redundancy	12.4	12.5	9.5
CC(1/2)	0.972	0.961	0.840

Crystallization Conditions

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