6JZH
Structure of human A2A adenosine receptor in complex with ZM241385 obtained from SFX experiments under atmospheric pressure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SACLA BEAMLINE BL3 |
Synchrotron site | SACLA |
Beamline | BL3 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2015-05-19 |
Detector | MPCCD |
Wavelength(s) | 1.77 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 40.170, 179.590, 142.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.356 - 2.250 |
R-factor | 0.1846 |
Rwork | 0.183 |
R-free | 0.21820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4eiy |
RMSD bond length | 0.003 |
RMSD bond angle | 0.652 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.900 | 2.290 |
High resolution limit [Å] | 2.250 | 2.250 |
Number of reflections | 25057 | |
<I/σ(I)> | 5.9 | |
Completeness [%] | 100.0 | |
Redundancy | 139 | |
CC(1/2) | 0.970 | 0.811 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 27% (v/v) PEG400, 50-mM sodium thiocyanate, 2% (v/v) 2,5-hexanediol, 100-mM sodium citrate (pH 5.0) |