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2XYN

HUMAN ABL2 IN COMPLEX WITH AURORA KINASE INHIBITOR VX-680

Replaces:  3NSV
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyCCD
Collection date2009-04-16
DetectorADSC CCD
Spacegroup nameP 32 2 1
Unit cell lengths170.500, 170.500, 100.651
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution147.660 - 2.810
R-factor0.24782
Rwork0.246
R-free0.28425
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3hmi
RMSD bond length0.011
RMSD bond angle1.345
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0110)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]41.1402.960
High resolution limit [Å]2.8102.810
Rmerge0.1001.020
Number of reflections41549
<I/σ(I)>10.81.9
Completeness [%]99.9100
Redundancy7.37.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP72770.8M SODIUM SUCCINATE, PH 7, VAPOUR DIFFUSION, SITTING DROP, TEMPERATURE 277K

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