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4RVM

CHK1 kinase domain with diazacarbazole compound 19

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]110
Detector technologyCCD
Collection date2008-10-03
DetectorRIGAKU SATURN 944+
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths45.123, 65.930, 58.117
Unit cell angles90.00, 94.63, 90.00
Refinement procedure
Resolution20.000 - 1.860
R-factor0.20337
Rwork0.201
R-free0.24248
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1zys
RMSD bond length0.013
RMSD bond angle1.492
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 Overall
Low resolution limit [Å]20.000
High resolution limit [Å]1.860
Number of reflections23800
<I/σ(I)>20.6
Completeness [%]82.8
Redundancy3.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.4292Hepes, isopropanol, PEG 8000, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K

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