6S0Q
Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from 50,000 diffraction patterns
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SwissFEL ARAMIS BEAMLINE ESA |
Synchrotron site | SwissFEL ARAMIS |
Beamline | ESA |
Temperature [K] | 297 |
Detector technology | PIXEL |
Collection date | 2018-08-12 |
Detector | PSI JUNGFRAU 1M |
Wavelength(s) | 2.713 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 40.340, 180.660, 143.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.491 - 2.650 |
R-factor | 0.1954 |
Rwork | 0.194 |
R-free | 0.22100 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.593 |
Data reduction software | CrystFEL (0.8.0) |
Data scaling software | CrystFEL (0.8.0) |
Phasing software | CRANK2 |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.710 | 2.710 |
High resolution limit [Å] | 2.650 | 2.650 |
Number of reflections | 29312 | 1960 |
<I/σ(I)> | 12.7 | |
Completeness [%] | 100.0 | |
Redundancy | 193 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 297 | 0.1M sodium citrate pH 5.0, 0.05M sodium thiocyanate, 28-34% PEG400, 5 mM ZM241385, 2% (v/v) 1,6-hexanedio |