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4GFO

TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-2
Synchrotron siteSSRL
BeamlineBL9-2
Temperature [K]100
Detector technologyCCD
Collection date2008-11-13
DetectorMARMOSAIC 325 mm CCD
Wavelength(s)0.98
Spacegroup nameP 65 2 2
Unit cell lengths49.361, 49.361, 420.686
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution42.530 - 2.300
R-factor0.2367
Rwork0.234
R-free0.28680
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3nz0
RMSD bond length0.008
RMSD bond angle1.020
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareBUSTER (2.11.2)
Data quality characteristics
 Overall
Low resolution limit [Å]50.000
High resolution limit [Å]2.300
Number of reflections171418
<I/σ(I)>39
Completeness [%]92.6
Redundancy12
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP53002 M ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 300K

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