8UAN

The crystal structure of cobalt-bound human ADO C18S C239S variant at 1.99 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 2 2 21
Unit cell lengths	54.863, 95.920, 118.162
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.620 - 1.990
R-factor	0.2015
Rwork	0.198
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.989
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.990	6.590	1.990
Rmerge	0.163	0.269	0.487
Rmeas	0.177	0.276	0.531
Rpim	0.069	0.056	0.208
Number of reflections	21821	661	1061
<I/σ(I)>	8.2
Completeness [%]	99.7	99	98
Redundancy	6.5	23.3	6.1
CC(1/2)	0.960	0.995	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	0.2 M (NH4)2SO4, 0.1 M Bis-Tris pH 5.5, 20% w/v PEG 3350
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	0.2 M (NH4)2SO4, 0.1 M Bis-Tris pH 5.5, 20% w/v PEG 3350