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8G6Z

JAK2 crystal structure in complex with Compound 13

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2022-04-08
DetectorDECTRIS EIGER2 XE 16M
Wavelength(s)0.9763
Spacegroup nameC 1 2 1
Unit cell lengths98.090, 36.460, 183.730
Unit cell angles90.00, 94.02, 90.00
Refinement procedure
Resolution61.170 - 2.450
R-factor0.22777
Rwork0.225
R-free0.28086
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3iok
RMSD bond length0.007
RMSD bond angle1.284
Data reduction softwarexia2
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwareREFMAC (5)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]61.1702.550
High resolution limit [Å]2.4502.450
Rmerge0.1480.713
Rpim0.0610.293
Number of reflections245032698
<I/σ(I)>10.12.8
Completeness [%]100.0
Redundancy6.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP293PEG 3350, ammonium acetate, HEPES

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