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6SK9

Nek2 bound to purine compound 51

Replaces:  6H0O
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyPIXEL
Collection date2009-02-20
DetectorDECTRIS PILATUS3 S 6M
Wavelength(s)0.9795
Spacegroup nameC 1 2 1
Unit cell lengths100.020, 56.890, 77.940
Unit cell angles90.00, 132.42, 90.00
Refinement procedure
Resolution30.630 - 2.000
R-factor0.189516994103
Rwork0.188
R-free0.21960
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.029
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwarePHENIX (1.9_1692)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.6302.110
High resolution limit [Å]2.0002.000
Number of reflections219923167
<I/σ(I)>8.5
Completeness [%]99.3
Redundancy3.6
CC(1/2)0.9970.679
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP27950 mM Hepes, pH 7.5, 300 mM sodium chloride, 10 mM sodium phosphate, 5 mM dithiothreitol and 5% glycerol

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