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8T7O

Crystal structure of the R132H mutant of IDH1 bound to AG-120

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyPIXEL
Collection date2019-03-06
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.0
Spacegroup nameP 43 21 2
Unit cell lengths79.445, 79.445, 305.312
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.370 - 2.053
R-factor0.2252
Rwork0.224
R-free0.25480
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.030
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareBUSTER (2.11.8)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]76.8852.282
High resolution limit [Å]2.2752.275
Number of reflections45893426
<I/σ(I)>15.8
Completeness [%]99.4
Redundancy12
CC(1/2)0.9990.773
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29325% PEG3350, 0.45 M Di-Ammonium Tartrate

224201

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