8T2H

DYRK1A complex with DYR530

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-23
Detector	Bruker PHOTON III
Wavelength(s)	1.34
Spacegroup name	P 21 21 21
Unit cell lengths	63.472, 83.213, 146.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.880 - 1.850
R-factor	0.16584
Rwork	0.163
R-free	0.21303
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.498
Data reduction software	PROTEUM2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.880	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.119	0.760
Number of reflections	67138	18823
<I/σ(I)>	10.7	2
Completeness [%]	100.0	100
Redundancy	7	4.6
CC(1/2)	0.996	0.480

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	1.8 M sodium malonate, 1.3% PEG 400