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9D52

Structure of PAK4 in complex with compound 18

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALBA BEAMLINE XALOC
Synchrotron siteALBA
BeamlineXALOC
Temperature [K]100
Detector technologyPIXEL
Collection date2021-12-15
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97926
Spacegroup nameP 41 21 2
Unit cell lengths62.642, 62.642, 184.886
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution44.334 - 2.449
Rwork0.201
R-free0.28720
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.012
RMSD bond angle2.514
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0425)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.3342.460
High resolution limit [Å]2.4492.449
Number of reflections143182259
<I/σ(I)>13.11
Completeness [%]99.4
Redundancy9.7
CC(1/2)0.9990.515
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2930.1 M HEPES pH 7.5, 4% (v/v) PEG 8000

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