5UEN
Crystal structure of the human adenosine A1 receptor A1AR-bRIL in complex with the covalent antagonist DU172 at 3.2A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 96.492, 112.960, 124.171 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.200 |
| R-factor | 0.288 |
| Rwork | 0.286 |
| R-free | 0.31600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eiy |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.420 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.328 | 2.767 |
| Number of reflections | 23000 | 4121 |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 14.1 | 14.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 100 mM Hepes pH 7.0-8.0, 28-38% PEG 300 and 500-700 mM NH4F |
