9FUF

Crystal structure of human DYRK1A in complex with ARN25641

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	94.080, 94.080, 49.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.520 - 2.700
R-factor	0.2097
Rwork	0.208
R-free	0.23150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.469
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]	66.525	2.591
High resolution limit [Å]	2.547	2.574
Rpim	0.027	0.352
Number of reflections	14296	704
<I/σ(I)>	19.8	2.2
Completeness [%]	100.0
Redundancy	12.4
CC(1/2)	0.999	0.824

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