7L8M

Crystal structure of human GPX4-U46C mutant K48L

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 1 21 1
Unit cell lengths	32.751, 69.838, 35.789
Unit cell angles	90.00, 116.18, 90.00

Refinement procedure

Resolution	34.920 - 2.070
R-factor	0.1766
Rwork	0.170
R-free	0.23600
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]	69.800	2.200
High resolution limit [Å]	2.070	2.070
Number of reflections	8738	1261
<I/σ(I)>	5.8
Completeness [%]	96.5
Redundancy	6.7
CC(1/2)	0.990	0.830

Crystallization Conditions

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