7WWY

M117L variant of Cu/Zn-superoxide dismutase from dog (Canis familiaris)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.275
Spacegroup name	P 41 21 2
Unit cell lengths	50.643, 50.643, 282.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.710 - 1.500
R-factor	0.25725
Rwork	0.256
R-free	0.28740
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.771
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.850	1.580
High resolution limit [Å]	1.500	1.500
Number of reflections	60359	8347
<I/σ(I)>	27
Completeness [%]	99.5
Redundancy	32.3
CC(1/2)	1.000	0.533

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 3350, 0.2M Sodium malonate, pH 7.0