9QDU

KEAP1 complexed to cyclic peptide 30

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96546
Spacegroup name	P 43 21 2
Unit cell lengths	75.478, 75.478, 231.736
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.690 - 2.350
R-factor	0.1742
Rwork	0.173
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.982
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]	19.690	2.389
High resolution limit [Å]	2.348	2.348
Rmerge	0.129	1.098
Rmeas	0.132	1.124
Rpim	0.025	0.236
Number of reflections	28900	1398
<I/σ(I)>	21.4	3.2
Completeness [%]	100.0	100
Redundancy	27.8	22
CC(1/2)	0.990	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	SG1 A11 4.0 M Na Formate