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6UNS

Kinase domain of ALK2-K492A/K493A with LDN-193189

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.3.1
Synchrotron siteALS
Beamline8.3.1
Temperature [K]80
Detector technologyPIXEL
Collection date2018-06-28
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.1111
Spacegroup nameP 2 21 21
Unit cell lengths60.000, 83.641, 137.972
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.750 - 2.300
R-factor0.2148
Rwork0.212
R-free0.26180
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3q4u
RMSD bond length0.008
RMSD bond angle0.999
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.14_3260)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.7502.380
High resolution limit [Å]2.3002.300
Rmerge0.2902.343
Rmeas0.3142.527
Rpim0.1200.942
Number of reflections316553042
<I/σ(I)>8.51.7
Completeness [%]100.099.9
Redundancy12.813.5
CC(1/2)0.9960.632
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP72980.05 M PIPES pH 7, 0.01 M DTT, 10 %w/v PEG 4000

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