2YJR

Structure of F1174L Mutant Anaplastic Lymphoma Kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	93
Detector technology	PIXEL
Collection date	2010-12-15
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	51.439, 56.906, 102.201
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.100 - 1.900
R-factor	0.221
Rwork	0.221
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xp2
RMSD bond length	0.004
RMSD bond angle	0.800
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	CNX
Refinement software	CNS (2005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.200	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.060	0.470
Number of reflections	28564
<I/σ(I)>	20.8	4.3
Completeness [%]	100.0	100
Redundancy	6.4	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	286	CRYSTALS WERE GROWN BY THE HANGING DROP VAPOR DIFFUSION METHOD AT 13 DEGREES CELSIUS BY MIXING 2 MICROLITERS OF PROTEIN SOLUTION WITH 2 MICROLITERS OF A RESERVOIR SOLUTION CONTAINING 22% (W/V) PEG 3350, 0.1 M TRIS PH 8.5, 0.2M LITHIUM SULFATE, 0.1% (W/V) BETA-OCTYLGLUCOSIDE.