9IH9

KEAP1 complexed to linear peptide 6

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-01
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	C 1 2 1
Unit cell lengths	78.758, 133.933, 82.320
Unit cell angles	90.00, 101.36, 90.00

Refinement procedure

Resolution	19.740 - 1.700
R-factor	0.1626
Rwork	0.161
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS (VERSION Jun 30, 2024 BUILT=20240723)
Data scaling software	Aimless (Version 0.8.1)
Phasing software	PHASER
Refinement software	PHENIX (dev_5373)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.744	1.727
High resolution limit [Å]	1.698	1.698
Rmerge	0.111	1.079
Rmeas	0.140	1.368
Rpim	0.084	0.828
Number of reflections	87658	4387
<I/σ(I)>	7.5	1.9
Completeness [%]	95.3	95.8
Redundancy	2.4	2.4
CC(1/2)	0.989	0.537

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2M Magnesium chloride hexahydrate 20% w/v PEG 3350 + 25% Glycerol