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9D2O

PANK3 complex structure with compound PZ-5351

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 date2024-01-31
DetectorDECTRIS EIGER X 9M
Wavelength(s)0.9201
Spacegroup nameP 31 2 1
Unit cell lengths97.544, 97.544, 69.250
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution32.040 - 1.800
R-factor0.1821
Rwork0.181
R-free0.20030
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.037
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.14_3260)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.6301.840
High resolution limit [Å]1.8001.800
Rmerge0.0881.287
Number of reflections355862072
<I/σ(I)>16.52.1
Completeness [%]100.0
Redundancy12.1
CC(1/2)0.9990.756
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.6293PEG 4000, ammonium acetate, citrate

246031

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