9KVW

Crystal Structures of Keap1-compound complexes

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	38.584, 72.958, 48.057
Unit cell angles	90.00, 100.60, 90.00

Refinement procedure

Resolution	39.650 - 1.440
R-factor	0.217
Rwork	0.216
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ifj
RMSD bond angle	14.286
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.490
High resolution limit [Å]	1.440	3.100	1.440
Rmerge	0.157	0.112	0.546
Rmeas	0.177	0.129	0.605
Rpim	0.079	0.062	0.256
Total number of observations	272286
Number of reflections	46608	4798	4507
<I/σ(I)>	5.2
Completeness [%]	98.5	99.4	95.6
Redundancy	5.8	4.5	5.3
CC(1/2)	0.980	0.986	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	PEG3350,0.1M potassium chloride