7L8R

Crystal structure of human GPX4-U46C mutant K48A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-29
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	62.804, 68.559, 81.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.480 - 1.520
R-factor	0.1595
Rwork	0.158
R-free	0.17720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l8k
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.550	1.540
High resolution limit [Å]	1.520	1.520
Number of reflections	54881	1615
<I/σ(I)>	13.2
Completeness [%]	100.0
Redundancy	12.9
CC(1/2)	0.990	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6	293	0.1 M sodium chloride, 0.1 M MES, and 40% (w/v) PEG 8000