9QBS

KEAP1 complexed to cyclic peptide 33

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)	1.000000
Spacegroup name	P 41 21 2
Unit cell lengths	100.847, 100.847, 126.764
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.540 - 1.950
R-factor	0.1697
Rwork	0.168
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.874
Data reduction software	XDS (Jun 30, 2024 (BUILT 20241002))
Data scaling software	Aimless (0.8.1)
Phasing software	PHASER
Refinement software	PHENIX (2.0rc1-5599)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.541	1.982
High resolution limit [Å]	1.948	1.948
Rmerge	0.140	0.864
Rmeas	0.149	0.945
Rpim	0.051	0.368
Number of reflections	48099	2155
<I/σ(I)>	11.7	2.8
Completeness [%]	99.5	91
Redundancy	8.5	6.3
CC(1/2)	0.998	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	CSII B6, 0.15 M Potassium thiocyanate, 0.1 M Sodium Acetate, pH 5.5, 20% v/v PEG600