7CCV

Crystal structure of death-associated protein kinase 1 in complex with piceatannol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-14
Detector	ADSC QUANTUM 210r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	46.796, 61.731, 87.501
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.292 - 1.753
R-factor	0.1745
Rwork	0.173
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5aut
RMSD bond length	0.006
RMSD bond angle	0.863
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	1.820
High resolution limit [Å]	1.750	1.750
Rmeas	0.051	0.525
Rpim	0.023	0.292
Number of reflections	24148	4668
<I/σ(I)>	20.4	2.5
Completeness [%]	92.5	60.8
Redundancy	4.5	3
CC(1/2)	0.999	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.0 M ammonium sulfate, 0.1 M Tris-HCl pH 7.0, 14.4 mg/mL DAPK1, 2 mM piceatannol