6ZDV
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 5d
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 | 2018-03-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 39.414, 179.833, 140.085 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.800 - 2.130 |
R-factor | 0.2155 |
Rwork | 0.215 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5iu4 |
RMSD bond length | 0.023 |
RMSD bond angle | 1.590 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.808 | 2.243 |
High resolution limit [Å] | 2.130 | 2.130 |
Number of reflections | 25511 | 1268 |
<I/σ(I)> | 11 | |
Completeness [%] | 91.8 | |
Redundancy | 9.4 | |
CC(1/2) | 0.998 | 0.458 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | PEG 400, Sodium Citrate, Sodium Thiocyanate, 2,5 Hexanediol |