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9CLQ

PANK3 complex structure with compound PZ-4352

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS-II BEAMLINE 17-ID-2
Synchrotron siteNSLS-II
Beamline17-ID-2
Temperature [K]100
Detector technologyPIXEL
Collection date2022-08-10
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.9793
Spacegroup nameP 31 2 1
Unit cell lengths97.836, 97.836, 69.292
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution32.070 - 1.850
R-factor0.1896
Rwork0.188
R-free0.21690
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.004
RMSD bond angle0.726
Data reduction softwareautoPROC (1.0.5)
Data scaling softwareAimless (0.7.9)
Phasing softwarePHASER (2.8.2)
Refinement softwarePHENIX (1.14_3260)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.6501.890
High resolution limit [Å]1.8501.850
Rmerge0.1201.314
Number of reflections330272006
<I/σ(I)>15.32.1
Completeness [%]100.0100
Redundancy15.414
CC(1/2)0.9990.768
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.6291PEG 4000, ammonium acetate, citrate

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