8IE8

Crystal structure of DAPK1 in complex with isorhapontigenin

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	2021-10-22
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	46.755, 62.222, 88.225
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.378 - 1.750
R-factor	0.1862
Rwork	0.184
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.826
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]	44.110	1.810
High resolution limit [Å]	1.750	1.750
Rmeas	0.077	0.757
Number of reflections	26205	2544
<I/σ(I)>	18	2.6
Completeness [%]	98.2
Redundancy	7.6
CC(1/2)	0.999	0.834

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG400, ammonium sulfate, Bis-tris pH 6.5