9YKO

Crystal structure of human DYRK1A kinase bound with inhibitor FC3

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2018-05-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.99998
Spacegroup name	P 21 21 21
Unit cell lengths	89.144, 88.711, 230.489
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.880 - 2.770
R-factor	0.2872
Rwork	0.285
R-free	0.33360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.866
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.880	2.860
High resolution limit [Å]	2.770	2.770
Rmerge	0.071
Number of reflections	45301	2324
<I/σ(I)>	17.5
Completeness [%]	95.5
Redundancy	4
CC(1/2)	0.990	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	23% Glycerol, 16% PEG 8000 and 0.03 di-potassium hydrogen phosphate