8IE6

Crystal structure of DAPK1 in complex with pinostilbene

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	46.719, 62.233, 88.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.307 - 1.701
R-factor	0.1793
Rwork	0.178
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.817
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]	44.210	1.760
High resolution limit [Å]	1.700	1.700
Rmeas	0.077	0.687
Number of reflections	28996	2802
<I/σ(I)>	17.4	2.8
Completeness [%]	99.8
Redundancy	7.4
CC(1/2)	0.999	0.841

Crystallization Conditions

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