8Q6M

Human SOD1 low dose data collecton

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-17
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.54180
Spacegroup name	P 1 21 1
Unit cell lengths	39.260, 68.010, 52.580
Unit cell angles	90.00, 106.28, 90.00

Refinement procedure

Resolution	35.338 - 1.770
Rwork	0.209
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.659
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.690	37.690	1.810
High resolution limit [Å]	1.770	9.030	1.770
Rmerge	0.135	0.088	0.411
Rmeas	0.184	0.123	0.569
Rpim	0.125	0.086	0.393
Number of reflections	25235	598	4774
<I/σ(I)>	3.9
Completeness [%]	97.3
Redundancy	3.3	2.9	3.3
CC(1/2)	0.974	0.988	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.75	293	2.5 M Ammonium sulphate, Acetate buffer pH 4.75