2YHV

Structure of L1196M 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	CCD
Collection date	2010-11-04
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	52.101, 57.760, 105.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.600 - 1.900
R-factor	0.206
Rwork	0.206
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yfx
RMSD bond length	0.004
RMSD bond angle	0.800
Data reduction software	autoPROC
Data scaling software	SCALA
Phasing software	CNX
Refinement software	CNS (2005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	105.190	2.000
High resolution limit [Å]	1.890	1.890
Rmerge	0.060	0.470
Number of reflections	25946
<I/σ(I)>	18.7	3.9
Completeness [%]	99.8	99.9
Redundancy	6.4	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.4	286	CRYSTALS WERE GROWN AT 13 DEGREE CELSIUS BY VAPOR DIFFUSION AFTER MIXING 2 MICROLITERS OF PROTEIN SOLUTION WITH 2 MICROLITERS OF A RESERVOIR SOLUITON CONTAINING: 0.1 M TRIS PH 8.4, 0.2 M LITHIUM SULFATE, 0.1% (W/V) B-OCTYLGLUCOSIDE, AND 20% (W/V) PEG 3350.