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9R5Z

Crystal structure of JAK3 with GCL258

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyPIXEL
Collection date2022-01-11
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.000020
Spacegroup nameP 1 21 1
Unit cell lengths41.850, 62.540, 101.197
Unit cell angles90.00, 93.71, 90.00
Refinement procedure
Resolution41.800 - 1.800
R-factor0.23868
Rwork0.236
R-free0.28935
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle1.761
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0425)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]41.8001.840
High resolution limit [Å]1.8001.800
Number of reflections479912873
<I/σ(I)>16.22.9
Completeness [%]99.0
Redundancy7
CC(1/2)0.9990.885
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP277.1531% PEG 3350, 0.2M MgCl2, 0.1M MES pH5.5.

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