9DXU

Crystal structure of cobalt-incorporated human 2-aminoethanethiol (aka cysteamine) dioxygenase (ADO) variant C18S/C239S in complex with CP6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 2 21 21
Unit cell lengths	36.111, 71.605, 108.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.340 - 1.740
R-factor	0.1768
Rwork	0.175
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.013
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.340	1.780
High resolution limit [Å]	1.740	1.740
Number of reflections	29565	1542
<I/σ(I)>	15.3
Completeness [%]	99.9
Redundancy	13.2
CC(1/2)	0.999	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% w/v PEG3350, 0.2 M sodium thiocyanate