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 |