8IE5

Crystal structure of DAPK1 in complex with oxyresveratrol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-23
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	46.917, 62.431, 88.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.461 - 1.803
R-factor	0.1834
Rwork	0.182
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.798
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.290	1.870
High resolution limit [Å]	1.800	1.800
Rmeas	0.091	0.719
Number of reflections	24632	2371
<I/σ(I)>	15.3	2.5
Completeness [%]	99.8
Redundancy	7.4
CC(1/2)	0.999	0.823

Crystallization Conditions

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