5IUH

Crystal Structure of the Anaplastic Lymphoma Kinase (ALK) in complex with 5d

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-26
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	52.290, 56.575, 103.049
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.526 - 2.100
R-factor	0.183
Rwork	0.181
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.876
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.170
High resolution limit [Å]	2.100	4.510	2.100
Rmerge	0.054	0.031	0.351
Rmeas	0.063	0.036	0.408
Rpim	0.031	0.018	0.204
Total number of observations	67092
Number of reflections	17870
<I/σ(I)>	14.1
Completeness [%]	96.2	98.8	91.9
Redundancy	3.8	3.9	3.7
CC(1/2)		0.998	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.6	277	18% PEG 2000 MME, 0.1 M Tris-HCl pH 8.6