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7MXF

CD1c with antigen analogue 2

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron siteAustralian Synchrotron
BeamlineMX2
Temperature [K]100
Detector technologyPIXEL
Collection date2020-10-09
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.9322
Spacegroup nameP 21 21 21
Unit cell lengths55.224, 71.363, 100.032
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.670 - 2.000
R-factor0.2064
Rwork0.204
R-free0.24160
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)7mx4
RMSD bond length0.008
RMSD bond angle1.049
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHENIX
Refinement softwarePHENIX (1.18.2_3874)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]43.6702.072
High resolution limit [Å]2.0002.000
Rmerge0.0270.329
Rmeas0.0390.465
Rpim0.0270.329
Number of reflections274172711
<I/σ(I)>12.262.04
Completeness [%]100.099.96
Redundancy22
CC(1/2)0.9990.779
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP9.4293100 mM CHES, 1.05 M sodium citrate, 25 mM triglycine

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