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4BKZ

Crystal structure of unphosphorylated Maternal Embryonic Leucine zipper Kinase (MELK) in complex with a benzodipyrazole inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyCCD
Collection date2010-04-15
DetectorADSC QUANTUM 4
Spacegroup nameP 21 21 21
Unit cell lengths60.440, 63.150, 95.310
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution52.640 - 2.200
R-factor0.20068
Rwork0.199
R-free0.24023
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1zmu
RMSD bond length0.010
RMSD bond angle1.577
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]60.4402.320
High resolution limit [Å]2.2002.200
Rmerge0.0700.480
Number of reflections18810
<I/σ(I)>11.63.2
Completeness [%]98.799.5
Redundancy4.54.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
110% PEG 3350, 0.1M BIS-TRIS PH 6.5, 0.2M SODIUM CHLORIDE

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