8XYR

De novo designed protein GPX4-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	61.795, 61.795, 113.525
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.040 - 1.870
R-factor	0.2158
Rwork	0.215
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.988
Data reduction software	autoPROC (1.0.5)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.520	1.960
High resolution limit [Å]	1.740	1.740
Rmerge		2.511
Rmeas		3.153
Rpim		1.841
Number of reflections	19547	868
<I/σ(I)>	8	1.6
Completeness [%]	89.6	56.1
Redundancy	8.8	3.8
CC(1/2)	0.649	0.010

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	40 mM KH2PO4, 20% PEG4000, 20% glycerol