7JYT

hALK in complex with 3-(3-methyl-1H-pyrazol-5-yl)pyridine

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	2012-05-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	51.826, 57.128, 103.561
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.550 - 2.000
R-factor	0.2086
Rwork	0.208
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z55
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]	29.550	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.080	0.712
Number of reflections	20910	1809
<I/σ(I)>	20.99	2.21
Completeness [%]	97.4	84.97
Redundancy	6.3	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	20 mM Tris pH 8.0, 150 mM NaCl, 0.5 mM EDTA, 1 mM Benzamidine and 0.25 mM TCEP