9DXV

Crystal structure of cobalt-incorporated human 2-aminoethanethiol (aka cysteamine) dioxygenase (ADO) variant C18S/C239S in complex with CP6-L8K-Ser

This is a non-PDB format compatible entry.

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	2023-08-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 2 21 21
Unit cell lengths	35.939, 71.588, 108.526
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.240 - 1.600
R-factor	0.1716
Rwork	0.171
R-free	0.19160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.040
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]	43.240	1.620
High resolution limit [Å]	1.600	1.600
Number of reflections	37903	1616
<I/σ(I)>	19
Completeness [%]	99.3
Redundancy	13.2
CC(1/2)	0.999	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M sodium nitrate, 20% w/v PEG3350, 0.1 M Bis-Tris propane, pH 6.5