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3W3L

Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron sitePhoton Factory
BeamlineAR-NE3A
Temperature [K]95
Detector technologyCCD
Collection date2012-11-03
DetectorADSC QUANTUM 270
Wavelength(s)1.0000
Spacegroup nameP 1 21 1
Unit cell lengths86.470, 138.870, 169.661
Unit cell angles90.00, 92.43, 90.00
Refinement procedure
Resolution45.075 - 2.330
R-factor0.1982
Rwork0.196
R-free0.23910
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle1.277
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwarePHENIX (1.8.1_1168)
Data quality characteristics
 Overall
Low resolution limit [Å]59.260
High resolution limit [Å]2.330
Number of reflections159473
<I/σ(I)>9.8
Completeness [%]93.1
Redundancy3.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.229314%(w/v) PEG3350, 0.1M MES, 0.15M ammonium sulfate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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