6CDT

Structure of Human Anaplastic Lymphoma Kinase Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	87
Detector technology	PIXEL
Collection date	2010-06-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	52.028, 57.472, 104.729
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.200 - 1.800
R-factor	0.196
Rwork	0.194
R-free	0.22600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2xp2
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNX (2005)
Refinement software	CNX (2005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.820
High resolution limit [Å]	1.800	1.800
Rmerge	0.055	0.291
Number of reflections	29890	1421
<I/σ(I)>	6.5	3.7
Completeness [%]	99.9	99
Redundancy	6.2	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		286	crystallized by the hanging drop vapor diffusion method at 13 degrees Celsius by mixing equal volumes of a purified protein (11-15 mg/mL) solution with a crystallization solution containing 0.15 M ammonium sulfate, 9 - 10.5% (w/v) monomethylether polyethylene glycol (MW 5 K) and 0.1 M MES buffer in a pH range of 5.3-5.6.