7U4J

Crystal structure of human GPX4-U46C-R152H in complex with TMT10

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	2020-09-22
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	128.095, 36.568, 42.180
Unit cell angles	90.00, 101.30, 90.00

Refinement procedure

Resolution	41.360 - 1.810
R-factor	0.1738
Rwork	0.170
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l8l
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]	41.360	1.650
High resolution limit [Å]	1.620	1.620
Rmerge	0.265	1.711
Number of reflections	23632	464
<I/σ(I)>	7.3	0.6
Completeness [%]	95.5	38.3
Redundancy	6.8	4.4
CC(1/2)	0.989	0.324

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	291	0.2 M potassium thiocyanate and 20% (w/v) PEG 3350