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5LT6

Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyPIXEL
Collection date2012-07-05
DetectorDECTRIS PILATUS3 S 6M
Wavelength(s)0.976
Spacegroup nameP 1 21 1
Unit cell lengths57.360, 72.700, 61.860
Unit cell angles90.00, 89.77, 90.00
Refinement procedure
Resolution61.860 - 2.050
R-factor0.182
Rwork0.179
R-free0.23100
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.012
RMSD bond angle1.170
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwareBUSTER
Refinement softwareBUSTER (2.11.6)
Data quality characteristics
 Overall
Low resolution limit [Å]61.860
High resolution limit [Å]2.050
Number of reflections98247
<I/σ(I)>6.1
Completeness [%]98.1
Redundancy3.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2930.1MHepes,pH7.3, 0.1MKSCN, 25-30%MPEG2000.

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