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8RVW

Dark structure of the human adenosine A2A receptor bound to synthetic photoswitch "StilSwitch3" determined by serial synchrotron crystallography

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]293
Detector technologyPIXEL
Collection date2022-04-24
DetectorPSI JUNGFRAU 16M
Wavelength(s)1
Spacegroup nameC 2 2 21
Unit cell lengths40.550, 182.540, 143.660
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution45.640 - 2.650
R-factor0.1957
Rwork0.192
R-free0.23260
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle1.200
Data reduction softwareCrystFEL ((0.9.1))
Data scaling softwareCrystFEL ((0.9.1))
Phasing softwarePHENIX ((1.20))
Refinement softwarePHENIX ((1.20_4459: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]142.1302.750
High resolution limit [Å]2.6502.650
Number of reflections159961508
<I/σ(I)>7.550.63
Completeness [%]100.0100
Redundancy638.8220.8
CC(1/2)0.9600.145
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1LIPIDIC CUBIC PHASE5.852930.1 M sodium potassium phosphate pH 5.85, 27-30% PEG 500 MME, 0.2 M sodium thiocyanate, 0.4 mM StilSwitch3

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