5K2A
2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing 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) | 2.07 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 40.350, 180.500, 142.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.783 - 2.500 |
R-factor | 0.1768 |
Rwork | 0.174 |
R-free | 0.22840 |
Structure solution method | SAD |
RMSD bond length | 0.002 |
RMSD bond angle | 0.907 |
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 | 2.580 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 18582 | |
<I/σ(I)> | 20.3 | 1.6 |
Completeness [%] | 100.0 | 83.5 |
Redundancy | 1022 | 7 |
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 |