9R1Z

Keap1 - inhibitor complex - 3

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-07-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97624
Spacegroup name	C 1 2 1
Unit cell lengths	126.340, 75.461, 48.630
Unit cell angles	90.00, 106.36, 90.00

Refinement procedure

Resolution	32.780 - 1.500
R-factor	0.1722
Rwork	0.171
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.043
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.780	1.500
High resolution limit [Å]	1.500	1.500
Rmeas	0.106	0.990
Number of reflections	69847	6945
<I/σ(I)>	8.7	1.9
Completeness [%]	99.6
Redundancy	4.1
CC(1/2)	0.990	0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	3.5 M Sodium Formate, pH 7.0