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2YFX

Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]98
Detector technologyPIXEL
Collection date2010-04-12
DetectorDECTRIS PILATUS 6M
Spacegroup nameP 21 21 21
Unit cell lengths51.721, 57.174, 105.253
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution36.040 - 1.700
R-factor0.208
Rwork0.208
R-free0.23400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2xp2
RMSD bond length0.004
RMSD bond angle0.800
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwareCNX
Refinement softwareCNS (2005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]105.2501.660
High resolution limit [Å]1.5701.570
Rmerge0.0500.340
Number of reflections43152
<I/σ(I)>18.32
Completeness [%]98.291.5
Redundancy6.22.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.6286HANGING DROP VAPOR DIFFUSION AT 13 DEGREES C. EQUAL VOLUMES OF PURIFIED PROTEIN SOLUTION (APPROXIMATELY 7 MG/ML)CONTAINING 0.8 MM CRIZOTINIB WERE COMBINED WITH A SOLUTION CONTAINING: 0.15 M AMMONIUM SULFATE, 10% MONOMETHYLETHER PEG5K AND 0.1M MES PH 5.6.

217705

건을2024-03-27부터공개중

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