3LCT

Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	200
Detector technology	CCD
Collection date	2008-10-27
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9765
Spacegroup name	P 21 21 21
Unit cell lengths	51.780, 57.069, 104.061
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.030 - 2.100
R-factor	0.20744
Rwork	0.205
R-free	0.25529
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l9p
RMSD bond length	0.016
RMSD bond angle	1.833
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.890	1.890
Rmerge	0.083	0.412
Number of reflections	23884
<I/σ(I)>	12.9	1.3
Completeness [%]	74.7	64.7
Redundancy	3.2	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277.15	20% PEG3350, 0.2M sodium acetate, pH 8.0 , VAPOR DIFFUSION, SITTING DROP, temperature 277.15K