9QBT

KEAP1 complexed to cyclic peptide 34

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	H 3 2
Unit cell lengths	119.778, 119.778, 167.235
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.470 - 2.334
R-factor	0.1733
Rwork	0.172
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.218
Data reduction software	XDS (VERSION Jun 30, 2024 BUILT=20241002)
Data scaling software	Aimless (Version 0.8.1)
Phasing software	PHASER
Refinement software	PHENIX (2.0rc1-5617)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.470	2.374
High resolution limit [Å]	2.334	2.334
Rmerge	0.077	0.434
Rmeas	0.085	0.477
Rpim	0.034	0.193
Number of reflections	19801	950
<I/σ(I)>	15.6	5.9
Completeness [%]	99.9	97.8
Redundancy	5.8	5.5
CC(1/2)	0.998	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	SG1 H12 4.3M Sodium chloride ,0.1M Sodium HEPES 7.5