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6BOZ

Structure of human SETD8 in complex with covalent inhibitor MS4138

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-E
Synchrotron siteAPS
Beamline24-ID-E
Temperature [K]100
Detector technologyCCD
Collection date2016-11-08
DetectorADSC QUANTUM 315
Wavelength(s)0.9792
Spacegroup nameP 21 21 21
Unit cell lengths31.560, 68.060, 125.900
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution62.950 - 2.400
R-factor0.182
Rwork0.179
R-free0.24190
RMSD bond length0.007
RMSD bond angle0.916
Data scaling softwareSCALA (3.3.22)
Phasing softwarePHASER
Refinement softwarePHENIX (1.11.1_2575)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]62.95068.0602.530
High resolution limit [Å]2.4007.5902.400
Rmerge0.0850.361
Rmeas0.1290.1020.437
Rpim0.0660.0550.242
Total number of observations39948
Number of reflections112094261550
<I/σ(I)>8.25.31.8
Completeness [%]99.599.697.8
Redundancy3.63.13
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION729020% (w/v) PEG 6,000, 0.2 M MgCl, 0.1 M HEPES (pH 7.0)

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