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6QGG

Structure of human Bcl-2 in complex with analogue of ABT-737

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyCCD
Collection date2008-08-07
DetectorADSC QUANTUM 315
Wavelength(s)0.97
Spacegroup nameP 41
Unit cell lengths55.277, 55.277, 58.593
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution15.000 - 1.500
R-factor0.152
Rwork0.151
R-free0.17320
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2yxj
RMSD bond length0.019
RMSD bond angle1.908
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0230)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.540
High resolution limit [Å]1.4903.2101.490
Rmerge0.0590.0430.196
Total number of observations110813
Number of reflections2736124862685
<I/σ(I)>14.3
Completeness [%]94.78494.9
Redundancy4.143.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.62841.4M Na/K phosphate pH 5.6

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