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9D51

Structure of PAK2 in complex with compound 12

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS-II BEAMLINE 17-ID-1
Synchrotron siteNSLS-II
Beamline17-ID-1
Temperature [K]100
Detector technologyPIXEL
Collection date2021-11-04
DetectorDECTRIS EIGER X 9M
Wavelength(s)0.9201
Spacegroup nameP 1 21 1
Unit cell lengths61.629, 80.755, 66.742
Unit cell angles90.00, 106.19, 90.00
Refinement procedure
Resolution47.783 - 2.100
Rwork0.212
R-free0.28550
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.014
RMSD bond angle2.592
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0425)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.7832.160
High resolution limit [Å]2.1002.100
Rmerge0.0911.405
Number of reflections361832947
<I/σ(I)>7.40.8
Completeness [%]98.698.4
Redundancy7.57.7
CC(1/2)0.9960.657
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29320% (w/v) PEG 3350, 200 mM Ammonium tartrate dibasic

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