8VZF

Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, Coenzyme A, and ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-14
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	69.800, 178.131, 196.482
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.350 - 2.360
R-factor	0.2093
Rwork	0.207
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.672
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.390
High resolution limit [Å]	2.360	2.360
Rmerge	0.263	1.126
Rmeas	0.288	1.250
Rpim	0.111	0.518
Number of reflections	99068	4335
<I/σ(I)>	6.21	1.08
Completeness [%]	97.2	85.6
Redundancy	5.8	4.9
CC(1/2)	0.960	0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.1 M HEPES pH 7.5, 20 % (w/v) PEG 8000