9INV

Crystal structure of DAPK1 in complex with isoliquiritigenin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	46.623, 62.279, 88.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.320 - 1.610
R-factor	0.1742
Rwork	0.173
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.482
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.620	1.640
High resolution limit [Å]	1.610	1.610
Rmeas	0.064	1.006
Rpim	0.024	0.379
Number of reflections	34197	1652
<I/σ(I)>	20.1	2.2
Completeness [%]	100.0
Redundancy	7.3
CC(1/2)	0.999	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 400, ammonium sulfate, MES pH 6.5