6EIV

DYRK1A in complex with JWD-065

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976251
Spacegroup name	P 21 21 21
Unit cell lengths	88.760, 88.540, 231.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.623 - 2.680
R-factor	0.1998
Rwork	0.197
R-free	0.23550
RMSD bond length	0.003
RMSD bond angle	0.719
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.840
High resolution limit [Å]	2.680	2.680
Rmeas	0.146	0.768
Number of reflections	51533
<I/σ(I)>	9.74	1.7
Completeness [%]	99.0
Redundancy	5.7

Crystallization Conditions

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