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4EWH

Co-crystal structure of ACK1 with inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.2
Synchrotron siteALS
Beamline5.0.2
Detector technologyCCD
DetectorADSC QUANTUM 315
Spacegroup nameC 1 2 1
Unit cell lengths201.202, 42.480, 71.031
Unit cell angles90.00, 95.29, 90.00
Refinement procedure
Resolution100.000 - 2.500
R-factor0.2588
Rwork0.256
R-free0.31320
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.021
RMSD bond angle2.137
Data scaling softwareSCALA (3.1.20)
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]100.17360.4642.640
High resolution limit [Å]2.5007.9102.500
Rmerge0.0580.0270.437
Total number of observations230311084
Number of reflections21086
<I/σ(I)>16.420.61.7
Completeness [%]99.898.399.9
Redundancy3.63.33.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION298vapor diffusion, temperature 298K

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PDB entries from 2024-03-27

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