6DB4

JAK3 with Cyanamide CP34

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	48.142, 75.137, 88.558
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.810 - 1.662
R-factor	0.1868
Rwork	0.185
R-free	0.21570
RMSD bond length	0.010
RMSD bond angle	0.940
Data reduction software	TRUNCATE
Data scaling software	SCALA (3.3.16)
Refinement software	BUSTER (2.11.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.558	88.558	1.750
High resolution limit [Å]	1.662	5.260	1.662
Rmerge		0.017	0.268
Rmeas	0.034	0.020	0.338
Rpim	0.013	0.008	0.147
Total number of observations	235890
Number of reflections	38477	1337	5528
<I/σ(I)>	31.9	26.2	2.8
Completeness [%]	99.8	98.7	99.9
Redundancy	6.1	5.6	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	20% PEG 3350, 0.2M (NH4)2SO4, 2% phenylurea