9DU7

KEAP1 BTB domain in complex with the covalent activator VVD-065

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000030
Spacegroup name	P 43
Unit cell lengths	72.737, 72.737, 64.209
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.183 - 1.867
Rwork	0.192
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.589
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.183	1.937
High resolution limit [Å]	1.867	1.870
Rmerge	0.063
Rmeas	0.068
Rpim	0.026
Number of reflections	27387	2674
<I/σ(I)>	15.21
Completeness [%]	98.2
Redundancy	6.9
CC(1/2)	0.998	0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.2	293.15	24% PEG 3350, 100 mM CHES pH 9.2