7CCW

Crystal structure of death-associated protein kinase 1 in complex with resveratrol and MES

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	2018-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	46.762, 62.293, 88.343
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.032 - 1.400
R-factor	0.1709
Rwork	0.170
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5aux
RMSD bond length	0.006
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12-2829_1069: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.300	1.450
High resolution limit [Å]	1.400	1.400
Rmeas	0.035	0.537
Rpim	0.015	0.271
Number of reflections	51220	4865
<I/σ(I)>	27.3	2.5
Completeness [%]	99.3
Redundancy	5.2
CC(1/2)	1.000	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.8 M ammonium sulfate, 0.1 M MES-NaOH pH 6.5, 14.4 mg/mL DAPK1, 2 mM resveratrol