8HZ8

Structure of PPIA in complex with the peptide of NRF2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	293
Detector technology	PIXEL
Collection date	2020-12-25
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	42.490, 52.326, 88.501
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.700 - 1.810
Rwork	0.234
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.446	1.950
High resolution limit [Å]	1.810	1.810
Rmerge		0.360
Number of reflections	16105	15285
<I/σ(I)>	67.13
Completeness [%]	99.0
Redundancy	19.5
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, Hepes, TCEP