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6TOD

Crystal structure of the Orexin-1 receptor in complex with EMPA

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I24
Synchrotron siteDiamond
BeamlineI24
Temperature [K]100
Detector technologyPIXEL
Collection date2013-01-08
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.9686
Spacegroup nameI 1 2 1
Unit cell lengths57.907, 158.891, 182.354
Unit cell angles90.00, 95.77, 90.00
Refinement procedure
Resolution30.620 - 2.110
R-factor0.189
Rwork0.188
R-free0.20800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6to7
RMSD bond length0.010
RMSD bond angle1.000
Data reduction softwareXDS
Data scaling softwareSTARANISO
Phasing softwarePHASER
Refinement softwareBUSTER (2.11.7)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.6202.280
High resolution limit [Å]2.1102.110
Number of reflections575811152
<I/σ(I)>9.3
Completeness [%]61.35.98
Redundancy3.33.6
CC(1/2)0.8930.010
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION6.32840.1M TRISODIUM CITRATE 50mM SODIUM CHLORIDE 50mM LITHIUM SULPHATE 15-34% PEG400

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