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6P3P

Crystal structure of Mcl-1 in complex with compound 65

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X29A
Synchrotron siteNSLS
BeamlineX29A
Temperature [K]100
Detector technologyCCD
Collection date2011-06-17
DetectorADSC QUANTUM 315r
Wavelength(s)1.075
Spacegroup nameP 1 21 1
Unit cell lengths38.229, 48.245, 40.707
Unit cell angles90.00, 108.50, 90.00
Refinement procedure
Resolution38.600 - 1.610
R-factor0.19119
Rwork0.190
R-free0.21347
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3mk8
RMSD bond length0.007
RMSD bond angle1.385
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.670
High resolution limit [Å]1.6101.610
Number of reflections178341118
<I/σ(I)>18.92.2
Completeness [%]99.099
Redundancy3.53.2
CC(1/2)0.9910.734
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.5277100 mM Bicine pH 8.5, 35% PEG 1500 and 10% ethanol

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