9XJ0

Crystal structure of SOD1 by serial synchrotron crystallography

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]	293
Detector technology	PIXEL
Collection date	2024-05-03
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.978
Spacegroup name	P 63
Unit cell lengths	113.800, 113.800, 71.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	98.550 - 2.300
R-factor	0.1865
Rwork	0.185
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.569
Data reduction software	CrystFEL
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.010	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	23556	2340
<I/σ(I)>	2.04
Completeness [%]	100.0
Redundancy	49.7
CC(1/2)	0.860	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Ammonium sulfate, sodium acetate, PVP-K15