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1H1R

Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6086

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Spacegroup nameP 21 21 21
Unit cell lengths74.110, 134.950, 148.330
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.000
Rwork0.235
R-free0.29400
Structure solution methodMOLECULAR REPLACEMENT
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.060
High resolution limit [Å]2.0002.000
Rmerge0.0750.522
Total number of observations251715

*

Number of reflections101035
<I/σ(I)>6.71.4
Completeness [%]93.975.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7The reservoir solution contained 0.8 M KCl and 1.2 M (NH4)2SO4 in 40 mM HEPES, pH 7.0, and 5 mM dithiothreitol (DTT)
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein10 (mg/ml)
21dropDMSO5 (%(v/v))
31dropinhibitor5 (mM)
41reservoir0.8 (M)
51reservoirammonium sulfate1.2 (M)
61reservoirHEPES40 (mM)pH7.0
71reservoirdithiothreitol5 (mM)

217705

数据于2024-03-27公开中

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