6IN4

Crystal structure of apo DAPK1 in the presence of 18-crown-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	46.675, 62.360, 88.428
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.420 - 1.800
R-factor	0.1872
Rwork	0.186
R-free	0.21800
RMSD bond length	0.006
RMSD bond angle	0.835
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.12-2829_1069: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.210	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	24036
<I/σ(I)>	17.5
Completeness [%]	97.8
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.8 M ammonium sulfate, 0.1 M MES pH 6.5, 100 mM 18-crown-6