7DHO

The co-crystal structure of DYRK2 with a small molecule inhibitor 14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	293
Detector technology	PIXEL
Collection date	2018-10-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	64.610, 128.870, 133.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.870 - 3.290
R-factor	0.1883
Rwork	0.184
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k2l
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260: ???)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.870	3.380
High resolution limit [Å]	3.290	3.290
Rmerge		1.013
Rpim		0.424
Number of reflections	58250	8806
<I/σ(I)>	3.6
Completeness [%]	99.9
Redundancy	6.6
CC(1/2)	0.925	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.36 M-0.5 M sodium citrate tribasic dehydrate, 0.01 M sodium borate, pH 7.5-9.5