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9DCD

Structure of J-PKAc chimera in complex with Aplithianine d2

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 date2022-02-17
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths72.810, 76.116, 80.149
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution36.410 - 2.700
R-factor0.1738
Rwork0.173
R-free0.19070
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle0.877
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwarePHENIX (1.21.1_5286)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.970
High resolution limit [Å]1.9001.900
Number of reflections3562235622
<I/σ(I)>26.04
Completeness [%]99.3
Redundancy6.3
CC(1/2)0.8890.889
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION6277.150.2 M LiCl, 0.1 M Mes pH:6.0, 20% PEG 6000

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