9FT4

Crystal structure of human DYRK1A in complex with ARN25507

This is a non-PDB format compatible entry.

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	2022-02-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 42
Unit cell lengths	94.181, 94.181, 48.443
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.090 - 3.000
R-factor	0.2031
Rwork	0.201
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.406
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.440	2.950
High resolution limit [Å]	2.800	2.800
Rpim	0.036	0.330
Number of reflections	10678	1539
<I/σ(I)>	19.8	3.2
Completeness [%]	99.8
Redundancy	14.1
CC(1/2)	0.999	0.879

Crystallization Conditions

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