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8A34

MTH1 in complex with TH013071

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMAX IV BEAMLINE BioMAX
Synchrotron siteMAX IV
BeamlineBioMAX
Temperature [K]100
Detector technologyPIXEL
Collection date2022-04-16
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.9762
Spacegroup nameP 21 21 21
Unit cell lengths59.008, 68.714, 79.801
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution52.070 - 1.900
R-factor0.21941
Rwork0.217
R-free0.26653
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3zr0
RMSD bond length0.008
RMSD bond angle1.318
Data reduction softwareDIALS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]79.8001.940
High resolution limit [Å]1.9001.900
Number of reflections260501644
<I/σ(I)>11.2
Completeness [%]99.1
Redundancy12.9
CC(1/2)0.9980.751
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29218 % PEG6000, 0.1 M sodium acetate trihydrate pH 3.5, 0.2 M lithium sulfate

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