5NM2
A2A Adenosine receptor cryo structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 39.428, 179.599, 139.847 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.373 - 1.948 |
R-factor | 0.1763 |
Rwork | 0.175 |
R-free | 0.21230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5iu4 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.155 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.948 | 1.948 |
Rmeas | 0.168 | 0.918 |
Number of reflections | 32392 | 1670 |
<I/σ(I)> | 10.36 | 1.13 |
Completeness [%] | 87.6 | 61.7 |
Redundancy | 9.5 | 2 |
CC(1/2) | 0.998 | 0.461 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 5 | 291 | 0.1M sodium citrate pH 5.0, 0.05M sodium thiocyanate, 28-34% PEG400, 5 mM ZM241385, 2% (v/v) 1,6-hexanedio |