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5N21

Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyPIXEL
Collection date2014-04-14
DetectorDECTRIS PILATUS3 S 6M
Wavelength(s)1
Spacegroup nameP 1
Unit cell lengths30.400, 38.970, 54.930
Unit cell angles83.36, 75.39, 67.21
Refinement procedure
Resolution19.830 - 1.580
R-factor0.1646
Rwork0.163
R-free0.19150
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle0.970
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareBUSTER (2.11.5)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.9201.660
High resolution limit [Å]1.5801.580
Rmerge0.0560.343
Number of reflections29482
<I/σ(I)>7.42
Completeness [%]94.985.2
Redundancy2.12
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP293unknown

217705

数据于2024-03-27公开中

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