7DHK

The co-crystal structure of DYRK2 with a small molecule inhibitor 13

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	2018-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	64.557, 127.838, 132.027
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.626 - 2.341
R-factor	0.1987
Rwork	0.195
R-free	0.25740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k2l
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260: ???)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.626	2.430
High resolution limit [Å]	2.341	2.341
Rmerge		1.017
Rpim	0.120	0.456
Number of reflections	62021	17793
<I/σ(I)>	6
Completeness [%]	99.8
Redundancy	6.4
CC(1/2)	0.971	0.588

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