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6MX8

Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib

Replaces:  5J7H
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU ULTRAX 18
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2015-05-26
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.54
Spacegroup nameP 21 21 21
Unit cell lengths51.891, 57.502, 103.986
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 1.960
R-factor0.185
Rwork0.183
R-free0.22710
RMSD bond length0.008
RMSD bond angle1.313
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCNS
Refinement softwareREFMAC (5.8.0230)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.00050.000
High resolution limit [Å]1.9601.960
Number of reflections23040
<I/σ(I)>24.32
Completeness [%]99.7
Redundancy4.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52770.1 M TRIS HCl pH 8.5, 19-27% PEG 3350, 2 mM TCEP

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