8Q8N

Crystal structure of human GPX4-U46C-I129S-L130S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-30
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	37.235, 45.642, 84.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.290 - 1.900
R-factor	0.20697
Rwork	0.202
R-free	0.29209
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.571
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.640	1.920
High resolution limit [Å]	1.880	1.880
Number of reflections	12301	766
<I/σ(I)>	9.5	1.4
Completeness [%]	99.8	99.5
Redundancy	12.1
CC(1/2)	0.832	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.1 M MES monohydrate pH 6.0, 6% v/v Tacsimate pH 6.0, 25% w/v Polyethylene glycol 4,000