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1IA8

THE 1.7 A CRYSTAL STRUCTURE OF HUMAN CELL CYCLE CHECKPOINT KINASE CHK1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyIMAGE PLATE
DetectorMARRESEARCH
Wavelength(s)1.54
Spacegroup nameP 1 21 1
Unit cell lengths45.200, 65.700, 58.100
Unit cell angles90.00, 93.90, 90.00
Refinement procedure
Resolution7.000 - 1.700
Rwork0.216
R-free0.23500
Structure solution methodMIR
Starting model (for MR)Cdk2
RMSD bond length0.005
RMSD bond angle1.300
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareX-PLOR
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.760
High resolution limit [Å]1.7001.700
Rmerge0.032

*

0.181

*

Total number of observations162012

*

Number of reflections35032

*

<I/σ(I)>29.99
Completeness [%]93.788.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.828613%PEG8k, 0.15M (NH4)2SO4, 0.1M NaCacodylate, and 2% glycerol., pH 6.8, VAPOR DIFFUSION, HANGING DROP
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirPEG800013 (%)
21reservoirammonium sulfate0.15 (M)
31reservoirNa cacodylate0.1 (M)
41reservoirglycerol2 (%)

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