7L8K

Crystal structure of human GPX4-U46C

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	2018-11-18
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	32.777, 68.922, 35.725
Unit cell angles	90.00, 116.12, 90.00

Refinement procedure

Resolution	34.460 - 1.380
R-factor	0.1487
Rwork	0.147
R-free	0.16510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2obi
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]	34.460	1.400
High resolution limit [Å]	1.380	1.380
Number of reflections	29060	1303
<I/σ(I)>	18.9
Completeness [%]	99.9	93.9
Redundancy	3.3	3
CC(1/2)	0.990	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.2	293	0.056 M sodium phosphate monobasic monohydrate and 1.344 M potassium phosphate