5XR8
Crystal structure of the human CB1 in complex with agonist AM841
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 66.830, 73.610, 139.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.480 - 2.950 |
| R-factor | 0.2557 |
| Rwork | 0.255 |
| R-free | 0.27420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tgz |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.484 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.480 | 3.050 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.490 | |
| Number of reflections | 13367 | |
| <I/σ(I)> | 11.06 | 1.97 |
| Completeness [%] | 88.2 | 77.3 |
| Redundancy | 6.3 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6.2 | 293 | 0.1 M sodium cacodylate trihydrate pH 6.2, 120 mM C6H5Na3O7, 30% PEG400 and 100 mM Glycine |
