5K2C
1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE CXI |
| Synchrotron site | SLAC LCLS |
| Beamline | CXI |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2015-04-01 |
| Detector | CS-PAD CXI-1 |
| Wavelength(s) | 1.27 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 40.360, 180.740, 142.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.437 - 1.900 |
| R-factor | 0.1743 |
| Rwork | 0.173 |
| R-free | 0.20790 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.176 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | SHELXD |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 41882 | |
| <I/σ(I)> | 6 | 0.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 291 | 62 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 5 | 293 | 28 % (v/v) PEG 400, 40 mM sodium thiocyanate and 100 mM sodium citrate buffer pH 5.0 |
