7U4N

Crystal structure of human GPX4-U46C in complex with RSL3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-01
Detector	ADSC HF-4M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	32.899, 92.856, 53.786
Unit cell angles	90.00, 100.19, 90.00

Refinement procedure

Resolution	26.720 - 1.600
R-factor	0.1535
Rwork	0.150
R-free	0.18800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l8k
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.630	1.570
High resolution limit [Å]	1.530	1.530
Rmerge	0.051	0.637
Number of reflections	47272	8621
<I/σ(I)>	16	1.6
Completeness [%]	98.4
Redundancy	4
CC(1/2)	0.999	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	291	0.1 M HEPES and 0.1 M magnesium nitrate hexahydrate