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9N4U

Crystal structure of PAK1 bound to compound R1

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-G
Synchrotron siteAPS
Beamline21-ID-G
Temperature [K]93
Detector technologyPIXEL
Collection date2013-11-20
DetectorDECTRIS PILATUS 6M
Wavelength(s)1
Spacegroup nameP 1 21 1
Unit cell lengths62.386, 80.728, 65.893
Unit cell angles90.00, 106.92, 90.00
Refinement procedure
Resolution30.640 - 1.770
R-factor0.1746
Rwork0.173
R-free0.20310
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.001
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwarePHENIX ((1.21.2_5419: ???))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.840
High resolution limit [Å]1.7703.8301.780
Rmerge0.0490.0280.693
Number of reflections5985761015905
<I/σ(I)>12.6
Completeness [%]99.19998.3
Redundancy3.83.73.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2910.2M Lithium Sulfate, 0.1M Tris pH 8.5, 30% PEG4000

237992

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