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2WMV

Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyCCD
DetectorRIGAKU CCD
Spacegroup nameP 1 21 1
Unit cell lengths44.630, 64.910, 53.350
Unit cell angles90.00, 100.76, 90.00
Refinement procedure
Resolution36.333 - 2.009
R-factor0.215
Rwork0.214
R-free0.24090
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2hy0
RMSD bond length0.006
RMSD bond angle0.973
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]36.3302.120
High resolution limit [Å]2.0102.010
Rmerge0.0600.240
Number of reflections19031
<I/σ(I)>8.52.8
Completeness [%]95.197.4
Redundancy2.42.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1DL-MALIC ACID/PEG3350

217705

PDB entries from 2024-03-27

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