7DHV

The co-crystal structure of DYRK2 with a small molecule inhibitor 8

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	64.546, 128.782, 132.735
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.704 - 2.679
R-factor	0.1927
Rwork	0.190
R-free	0.24950
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]	57.704	2.830
High resolution limit [Å]	2.660	2.660
Rpim	0.098	0.546
Number of reflections	95723	15156
<I/σ(I)>	7.2
Completeness [%]	93.4
Redundancy	6.3
CC(1/2)	0.985	0.598

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