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5NEV

CDK2/Cyclin A in complex with compound 73

Replaces:  5LQE
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2015-10-12
DetectorDECTRIS PILATUS3 S 6M
Wavelength(s)0.969
Spacegroup nameP 21 21 21
Unit cell lengths73.527, 132.053, 149.220
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution66.030 - 2.970
R-factor0.21992
Rwork0.218
R-free0.26119
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1h1s
RMSD bond length0.017
RMSD bond angle1.944
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]66.0303.130
High resolution limit [Å]2.9702.970
Rmerge0.086
Number of reflections30773
<I/σ(I)>6.71.6
Completeness [%]100.099.7
Redundancy7047.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7277PROTEIN AT 5MG PER ML. 0.6 TO 0.8M KCL, 0.9 TO 1.2M (NH402SO4, AND 100MM HEPES (PH 7.0)

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