5GIT

BTB domain of KEAP1 in complex with XX3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	P 65 2 2
Unit cell lengths	42.450, 42.450, 265.150
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.760 - 2.190
R-factor	0.21969
Rwork	0.216
R-free	0.27809
RMSD bond length	0.015
RMSD bond angle	1.782
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	36.760
High resolution limit [Å]	2.190
Number of reflections	8098
<I/σ(I)>	17.2
Completeness [%]	99.5
Redundancy	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.2 M lithium acetate, 16% PEG 3350