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9DC6

Structure of J-PKAc chimera in complex with Aplithianine e1

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyPIXEL
Collection date2022-02-23
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths60.758, 124.934, 129.302
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution41.730 - 2.700
R-factor0.2374
Rwork0.232
R-free0.31140
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.092
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwarePHENIX (1.21.1_5286)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]41.7302.860
High resolution limit [Å]2.7002.700
Number of reflections521084371
<I/σ(I)>14.17
Completeness [%]99.7
Redundancy5.8
CC(1/2)0.9990.964
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5277.15200 mM Lithium sulfate, 100 mM Hepes pH 7.5, 20 % PEG 3350

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