9M58

Cu/Zn-superoxide dismutase from Deinococcus radiodurans (Calcium-free)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.28157
Spacegroup name	P 43
Unit cell lengths	83.067, 83.067, 119.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.890 - 1.800
R-factor	0.1652
Rwork	0.164
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.053
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.510	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.117	1.452
Number of reflections	73933	10648
<I/σ(I)>	13.7	3.1
Completeness [%]	98.7	97.1
Redundancy	13.7	14.3
CC(1/2)	0.999	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20%(w/v) PEG 3350, 0.2M Sodium malonate, pH 4.0