9JL9

De novo designed GPX4 2OBI-3

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	32.564, 71.120, 33.077
Unit cell angles	90.00, 114.34, 90.00

Refinement procedure

Resolution	29.670 - 1.340
R-factor	0.1826
Rwork	0.181
R-free	0.20760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.472
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]	71.120	1.370
High resolution limit [Å]	1.340	1.340
Rmerge	0.058	0.182
Rmeas	0.064	0.207
Rpim	0.025	0.096
Number of reflections	29674	2145
<I/σ(I)>	15.7	6.3
Completeness [%]	96.4	93.3
Redundancy	6.3	4.8
CC(1/2)	0.979	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M NaCl, 25% PEG3350