6EIL

DYRK1A in complex with XMD8-49

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	87.390, 87.700, 229.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.160 - 2.465
R-factor	0.2135
Rwork	0.209
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nct
RMSD bond length	0.003
RMSD bond angle	0.562
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.610
High resolution limit [Å]	2.460	2.460
Rmeas	0.004	0.492
Number of reflections	62269
<I/σ(I)>	13.76	2.21
Completeness [%]	96.1
Redundancy	4.2
CC(1/2)	0.997	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M KSCN; 0.1M NaCl; 16% PEG 3350, pH 6.8