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4QO9

MST3 IN COMPLEX WITH Danusertib

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-BM
Synchrotron siteAPS
Beamline22-BM
Temperature [K]93
Detector technologyCCD
Collection date2014-03-26
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)1.00
Spacegroup nameP 1 21 1
Unit cell lengths53.610, 90.720, 61.880
Unit cell angles90.00, 92.89, 90.00
Refinement procedure
Resolution19.904 - 2.200
Rwork0.160
R-free0.21830
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3ckw
RMSD bond length0.008
RMSD bond angle1.147
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHENIX
Refinement softwarePHENIX ((phenix.refine: 1.8.4_1496))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.260
High resolution limit [Å]2.2002.200
Number of reflections29718
<I/σ(I)>17.144.48
Completeness [%]98.898.4
Redundancy3.93.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.529112.5 mg/mL MST3, 1 mM Danusertib, 25 mM TRIS, PH 8.0, 50 MM HEPES pH 7.5, 125 mM SODIUM CHLORIDE, 100 mM MAGNESIUM CHLORIDE, 15% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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