7JY4

hALK in complex with ((1S,2S)-1-(2,4-difluorophenyl)-2-(2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy)cyclopropyl)methanamine

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]	100
Detector technology	CCD
Collection date	2013-02-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	51.479, 56.747, 103.568
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.980 - 2.420
R-factor	0.221
Rwork	0.219
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z55
RMSD bond length	0.002
RMSD bond angle	0.589
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.980	2.506
High resolution limit [Å]	2.420	2.420
Rmerge	0.099	0.750
Number of reflections	11973	1105
<I/σ(I)>	16.2	1.5
Completeness [%]	98.4
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	18.25% PEG 3350, 2% Tacsimate pH 7.0, 0.09M Tris Cl, 0.01M Tris_base