9JL8

De novo designed GPX4 2OBI-1

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	2024-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	32.438, 71.633, 33.875
Unit cell angles	90.00, 109.16, 90.00

Refinement procedure

Resolution	23.860 - 1.320
R-factor	0.1926
Rwork	0.191
R-free	0.21740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.245
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]	71.630	1.350
High resolution limit [Å]	1.320	1.320
Rmerge	0.052	0.162
Rmeas	0.057	0.184
Rpim	0.022	0.085
Number of reflections	33408	2426
<I/σ(I)>	21.6	7.4
Completeness [%]	97.4
Redundancy	6.4
CC(1/2)	0.997	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M Sodium acetate, 0.1m Bis-Tris 5.5, 25% PEG3350