9KQY

The co-crystal structure of DYRK2 with YK-3-18E

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	80
Detector technology	CCD
Collection date	2020-11-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	223.166, 71.961, 70.229
Unit cell angles	90.00, 99.14, 90.00

Refinement procedure

Resolution	40.140 - 3.200
R-factor	0.2327
Rwork	0.228
R-free	0.27630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.541
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.140	3.390
High resolution limit [Å]	3.200	3.200
Number of reflections	18137	5588
<I/σ(I)>	8.41	1.92
Completeness [%]	97.9	97.3
Redundancy	3.521
CC(1/2)	0.980	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289.15	0.2 M Magnesium chloride hexahydrate 0.1M Sodium citrate tribasic dihydrate pH 4.5 8% w/v PEG20000 10mM ATP