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7LH7

Crystal structure of BCL-XL in complex with a benzothiazole-based inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.3
Synchrotron siteALS
Beamline5.0.3
Temperature [K]100
Detector technologyCCD
Collection date2011-01-15
DetectorADSC QUANTUM 315
Wavelength(s)0.9765
Spacegroup nameC 2 2 21
Unit cell lengths58.860, 88.910, 151.460
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.690 - 1.409
R-factor0.186
Rwork0.185
R-free0.19860
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6vwc
RMSD bond length0.008
RMSD bond angle0.860
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareMOLREP
Refinement softwareBUSTER (2.11.7)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.6901.433
High resolution limit [Å]1.4091.409
Number of reflections762813793
<I/σ(I)>17.8
Completeness [%]99.1
Redundancy7.1
CC(1/2)1.0000.789
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1COUNTER-DIFFUSION4.229020% (w/v) PEG 8000, 0.1 M phosphate-citrate pH 4.2, 0.2 M sodium chloride. The method was liquid-liquid counter diffusion

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