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1OKZ

Structure of human PDK1 kinase domain in complex with UCN-01

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Detector technologyCCD
Collection date2003-04-15
DetectorADSC CCD
Spacegroup nameP 32 2 1
Unit cell lengths123.387, 123.387, 47.115
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution24.520 - 2.510
R-factor0.19
Rwork0.190
R-free0.25700
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1h1w
RMSD bond length0.009
RMSD bond angle1.800
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0002.590
High resolution limit [Å]2.5002.500
Rmerge0.1670.688
Number of reflections14395
<I/σ(I)>4.52.6
Completeness [%]100.099.9
Redundancy4.84.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.52.1 M AMMONIUM SULPHATE, 0.1 M TRIS-HCL PH 8.5 + 0.25 UL COBALTOUS CHLORIDE HEXAHYDRATE

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