6EIS

DYRK1A in complex with JWC-055

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	88.480, 89.050, 230.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.367 - 2.360
R-factor	0.223
Rwork	0.221
R-free	0.26150
Starting model (for MR)	4nct
RMSD bond length	0.003
RMSD bond angle	0.669
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	2.500
High resolution limit [Å]	2.360	2.360
Rmeas	0.130	0.875
Number of reflections	75870
<I/σ(I)>	11.36	2.07
Completeness [%]	99.9
Redundancy	6.5
CC(1/2)	0.996	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M KSCN, 0.1M KCl, 16% PEG 3350