4FNX

Crystal structure of the apo R1275Q anaplastic lymphoma kinase catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-09
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9774
Spacegroup name	P 21 21 21
Unit cell lengths	51.628, 57.543, 105.885
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.430 - 1.700
R-factor	0.1955
Rwork	0.194
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.188
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.047	0.031	0.354
Number of reflections	34469
<I/σ(I)>	17
Completeness [%]	96.9	99.2	78.8
Redundancy	4.5	4.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	18% PEG 5000 monomethyl ether, 100 mM ammonium sulfate, 5 mM dithiothreitol, 100 mM MES (pH 6.5), VAPOR DIFFUSION, HANGING DROP, temperature 277K