8VZI

Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthase CcHACS from Conidiobolus coronatus in the Complex with THDP 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	2022-12-13
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	64.742, 179.286, 96.826
Unit cell angles	90.00, 108.23, 90.00

Refinement procedure

Resolution	44.820 - 1.850
R-factor	0.1578
Rwork	0.156
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.860
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	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.107	0.818
Rmeas	0.114	0.890
Rpim	0.039	0.343
Number of reflections	167273	6685
<I/σ(I)>	14.7	1.27
Completeness [%]	94.1	76.1
Redundancy	7.8	5.8
CC(1/2)	0.996	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.1 M amino acid (20 mM DL-glutamic acid, 20 mM DL-alanine, 20 mM glycine, 20 mM DL-lysine), 0.1 M Imidazole; MES pH 6.5, 20 % (v/v) Ethylene glycol, 10 % (w/v) PEG 8000