6EIR

DYRK1A in complex with XMD15-27-2

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	87.685, 87.493, 229.041
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.940 - 2.400
R-factor	0.23487
Rwork	0.234
R-free	0.25813
RMSD bond length	0.007
RMSD bond angle	1.122
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.410
Number of reflections	66701
<I/σ(I)>	12.97
Completeness [%]	95.8
Redundancy	4

Crystallization Conditions

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