5A3X

DYRK1A in complex with hydroxy benzothiazole fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-26
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	87.700, 88.420, 229.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.290 - 2.260
R-factor	0.23604
Rwork	0.235
R-free	0.25867
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.005
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.280
Rmerge	0.130
Number of reflections	82115
<I/σ(I)>	10
Completeness [%]	99.6
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	0.1 M KSCN; 0.1M KCL; 14% PEG 3350, PH 6.8, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K