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5L2T

The X-ray co-crystal structure of human CDK6 and Ribociclib.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]98.15
Detector technologyPIXEL
Collection date2013-08-08
DetectorDECTRIS PILATUS3 S 6M
Wavelength(s)1.0
Spacegroup nameI 4
Unit cell lengths101.227, 101.227, 60.314
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution71.580 - 2.370
R-factor0.2154
Rwork0.212
R-free0.25760
RMSD bond length0.010
RMSD bond angle1.160
Data scaling softwareAimless
Phasing softwareBUSTER
Refinement softwareBUSTER (2.11.4)
Data quality characteristics
 Overall
Low resolution limit [Å]72.000
High resolution limit [Å]2.370
Number of reflections12581
<I/σ(I)>32.1
Completeness [%]100.0
Redundancy6.55
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP286.151:1 (protein to well buffer) with well buffer containing: 0.1 M MES pH 6.0, 70 - 80 mM NH4NO3, 10 - 15% polyethyleneglycol 3350

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