8IE7

Crystal structure of DAPK1 in complex with pterostilbene

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	46.600, 62.022, 88.133
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.066 - 1.849
R-factor	0.1806
Rwork	0.179
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.442
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]	44.070	1.910
High resolution limit [Å]	1.849	1.850
Rmeas	0.079	0.628
Number of reflections	22459	2179
<I/σ(I)>	16.6	2.8
Completeness [%]	99.8
Redundancy	7.4
CC(1/2)	0.999	0.865

Crystallization Conditions

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