7FB9

Crystal Structure of Human Cu, Zn Superoxide Dismutase (SOD1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100.15
Detector technology	PIXEL
Collection date	2020-08-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97942
Spacegroup name	P 32
Unit cell lengths	112.430, 112.430, 209.280
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.520 - 2.700
R-factor	0.2316
Rwork	0.230
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pu0
RMSD bond length	0.001
RMSD bond angle	0.347
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmeas		0.294
Rpim	0.067	0.157
Number of reflections	76247	3191
<I/σ(I)>	8.3	3.083
Completeness [%]	93.8
Redundancy	4.9
CC(1/2)	0.944	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287.15	0.1M sodium acetate-HCl (pH 4.5), 21% (w/v) PEG 3350