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3TO4

Structure of mouse Valpha14Vbeta2-mouseCD1d-alpha-Galactosylceramide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron siteAustralian Synchrotron
BeamlineMX2
Temperature [K]100
Detector technologyCCD
Collection date2010-02-17
DetectorADSC QUANTUM 315r
Wavelength(s)0.95453
Spacegroup nameP 21 21 21
Unit cell lengths59.211, 82.594, 238.482
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution78.050 - 3.100
R-factor0.21965
Rwork0.217
R-free0.26753
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3he7
RMSD bond length0.006
RMSD bond angle1.019
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]82.6403.270
High resolution limit [Å]3.1003.100
Rmerge0.2411.243
Number of reflections22054
<I/σ(I)>10.32.8
Completeness [%]100.0100
Redundancy9.710.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.529517% PEG 10K, 0.1M ammonium acetate, 0.1M Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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