4ZIM

CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH A 9H-CARBAZOLE-1-CARBOXAMIDE INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-06-30
Detector	RIGAKU
Wavelength(s)	1.54
Spacegroup name	P 41
Unit cell lengths	112.390, 112.390, 70.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.460 - 2.650
R-factor	0.2037
Rwork	0.202
R-free	0.27420
RMSD bond length	0.010
RMSD bond angle	1.160
Data reduction software	DENZO ((DENZO))
Data scaling software	SCALEPACK ((SCALEPACK))
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.122	0.616
Number of reflections	25927
<I/σ(I)>	17.2	3.6
Completeness [%]	100.0	100
Redundancy	7.5	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	100mM MES buffer, 100mM NaCl, 28% (w/v) PEG3350, 2mM DTT and 200mM tri-sodium citrate