9IYK

Crystal structure of hSOD1 in C121 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-01
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	178.190, 138.250, 112.930
Unit cell angles	90.00, 129.20, 90.00

Refinement procedure

Resolution	48.920 - 2.340
R-factor	0.2014
Rwork	0.198
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.634
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.470	2.380
High resolution limit [Å]	2.340	2.340
Number of reflections	88500	4366
<I/σ(I)>	9
Completeness [%]	99.2
Redundancy	7.13
CC(1/2)	0.939	0.237

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Ammonium sulfate, sodium acetate