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9ECH

PANK3 complex structure with compound PZ-5578

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 date2024-10-16
DetectorDECTRIS EIGER X 9M
Wavelength(s)0.9202
Spacegroup nameP 31 2 1
Unit cell lengths98.374, 98.374, 68.820
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution32.200 - 2.043
R-factor0.207
Rwork0.206
R-free0.22700
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.002
RMSD bond angle0.476
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.14_3260)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]32.2002.078
High resolution limit [Å]2.0432.043
Rmerge0.120
Number of reflections247131212
<I/σ(I)>12.81
Completeness [%]100.0100
Redundancy12.912.6
CC(1/2)0.9990.350
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.6293PEG 4000, ammonium acetate, citrate

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