6PT3
Crystal structure of the active delta opioid receptor in complex with the small molecule agonist DPI-287
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2018-06-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.084, 142.101, 157.491 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.240 - 3.300 |
| R-factor | 0.246 |
| Rwork | 0.245 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4n6h |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.240 | 3.390 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.114 | 0.889 |
| Number of reflections | 16342 | 2087 |
| <I/σ(I)> | 8.67 | |
| Completeness [%] | 94.5 | |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6 | 293 | 32-35% PEG400, 100-110 mM potassium citrate tribasic monohydrate and 100 mM MES pH 6.0 |
