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5K2B

2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeFREE ELECTRON LASER
Source detailsSLAC LCLS BEAMLINE CXI
Synchrotron siteSLAC LCLS
BeamlineCXI
Temperature [K]293
Detector technologyPIXEL
Collection date2015-04-01
DetectorCS-PAD CXI-1
Wavelength(s)2.07
Spacegroup nameC 2 2 21
Unit cell lengths40.360, 180.740, 142.800
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution23.437 - 2.500
R-factor0.175
Rwork0.173
R-free0.21930
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4eiy
RMSD bond length0.002
RMSD bond angle0.902
Data reduction softwareCrystFEL
Data scaling softwareCrystFEL
Phasing softwarePHASER
Refinement softwarePHENIX (1.10_2155)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]24.0002.580
High resolution limit [Å]2.5002.500
Number of reflections34140
<I/σ(I)>20.31.6
Completeness [%]100.083.5
Redundancy10227
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1LIPIDIC CUBIC PHASE529328 % (v/v) PEG 400, 40 mM sodium thiocyanate and 100 mM sodium citrate buffer pH 5.0

217705

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