9RF1

Structure of human GPX4-U46C-R152K mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.8731
Spacegroup name	P 1 21 1
Unit cell lengths	35.392, 62.952, 75.442
Unit cell angles	90.00, 100.79, 90.00

Refinement procedure

Resolution	37.000 - 1.900
R-factor	0.2187
Rwork	0.215
R-free	0.28370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.826
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	88991	2547
<I/σ(I)>	3.19
Completeness [%]	98.7
Redundancy	3.5
CC(1/2)	0.917	0.316

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2M Ammonium acetate 0.1M BIS-Tris ph 5.5 25% w/v PEG 3350