6EIJ

DYRK1A in complex with HG-8-60-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.984003
Spacegroup name	P 21 21 21
Unit cell lengths	89.240, 88.040, 228.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.400 - 2.420
R-factor	0.21485
Rwork	0.213
R-free	0.24192
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nct
RMSD bond length	0.009
RMSD bond angle	1.237
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.600
High resolution limit [Å]	2.450	7.280	2.450
Rmeas	0.107	0.044	0.688
Number of reflections	66317	2754	10167
<I/σ(I)>	14.24	38.02	2.47
Completeness [%]	99.2	99.2	95.7
Redundancy	6.4
CC(1/2)	0.997	0.998	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M KSCN; 0.05M KCl; 10% PEG 3350, pH 6.8