7DHN

The co-crystal structure of DYRK2 with a small molecule inhibitor 20

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	2018-10-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	64.760, 128.550, 132.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.836 - 2.380
R-factor	0.1873
Rwork	0.185
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k2l
Data reduction software	PDB_EXTRACT
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260: ???)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.320	2.440
High resolution limit [Å]	2.380	2.380
Rmerge	0.083	1.133
Rpim	0.025	0.334
Number of reflections	298430	22578
<I/σ(I)>	18.9
Completeness [%]	99.8
Redundancy	13.2
CC(1/2)	0.999	0.789

Crystallization Conditions

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