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6QXJ

Structure of MBP-Mcl-1 in complex with compound 6a

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2017-04-27
DetectorDECTRIS PILATUS3 S 6M
Wavelength(s)0.976
Spacegroup nameP 21 21 2
Unit cell lengths99.210, 135.950, 37.800
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.700
R-factor0.1733
Rwork0.172
R-free0.20300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5lof
RMSD bond length0.022
RMSD bond angle2.007
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 Overall
Low resolution limit [Å]45.300
High resolution limit [Å]1.590
Rmerge0.033
Number of reflections67671
<I/σ(I)>17.3
Completeness [%]97.2
Redundancy3.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.527925% PEG3350, 0.2M MAGNESIUM FORMATE,1MM MALTOSE

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