8ZD5

Crystal structure of E40K variant of Cu/Zn-superoxide dismutase from dog (Canis familiaris) in the holo form complexed with 22E1 Fv-clasp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.900
Spacegroup name	I 1 2 1
Unit cell lengths	167.915, 82.213, 187.612
Unit cell angles	90.00, 108.46, 90.00

Refinement procedure

Resolution	48.150 - 2.890
R-factor	0.20347
Rwork	0.201
R-free	0.24921
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.114
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.110	2.980
High resolution limit [Å]	2.890	2.890
Rpim	0.061	0.740
Number of reflections	53258	4024
<I/σ(I)>	7.9	1.1
Completeness [%]	97.8
Redundancy	3.4
CC(1/2)	1.000	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	20% (w/v) polyethylene glycol 4000, 0.1M Tris pH 8.5, 0.2M lithium sulfate