6FLH

Monomeric Human Cu,Zn Superoxide dismutase, SOD1 7+7, apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9763
Spacegroup name	H 3 2
Unit cell lengths	83.214, 83.214, 133.478
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	63.410 - 1.790
R-factor	0.1712
Rwork	0.170
R-free	0.19660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bcz
RMSD bond length	0.025
RMSD bond angle	2.363
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.410	63.410	1.830
High resolution limit [Å]	1.790	8.960	1.790
Rmerge	0.084	0.037	0.782
Rmeas	0.088	0.040	0.844
Rpim	0.028	0.014	0.309
Number of reflections	16779	160	810
<I/σ(I)>	20.1
Completeness [%]	98.7	98.6	80.6
Redundancy	9.6	7.7	6.6
CC(1/2)	0.999	0.998	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium acetate pH 4.6 and 2 M ammonium sulfate