9FT3

Crystal structure of human DYRK1A in complex with ARN25565

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	94.270, 94.270, 48.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.660 - 2.700
R-factor	0.1957
Rwork	0.194
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.016
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]	66.660	2.640
High resolution limit [Å]	2.595	2.595
Rpim	0.026	0.397
Number of reflections	13488	667
<I/σ(I)>	20.2	2
Completeness [%]	100.0
Redundancy	13.5
CC(1/2)	0.999	0.804

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