7OY6

Crystal structure of human DYRK1A in complex with ARN25068

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 42
Unit cell lengths	93.650, 93.650, 48.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.870 - 2.380
R-factor	0.2019
Rwork	0.198
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3anq
RMSD bond length	0.008
RMSD bond angle	1.713
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.960	2.470
High resolution limit [Å]	2.380	2.380
Rmerge	0.108
Number of reflections	17364	1835
<I/σ(I)>	10.3	0.9
Completeness [%]	100.0
Redundancy	13.1
CC(1/2)	0.990	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	15-20% PEG1000, 50 mM Mes 6.4, 100 mM KCl