4RWD
XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE CXI |
| Synchrotron site | SLAC LCLS |
| Beamline | CXI |
| Temperature [K] | 294 |
| Detector technology | PIXEL |
| Collection date | 2014-02-02 |
| Detector | Cornell-SLAC Pixel Array Detector (CSPAD) |
| Wavelength(s) | 1.6 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.230, 89.290, 96.420 |
| Unit cell angles | 90.00, 92.30, 90.00 |
Refinement procedure
| Resolution | 33.450 - 2.700 |
| R-factor | 0.20973 |
| Rwork | 0.208 |
| R-free | 0.23803 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4n6h PDB entry 4EIY |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.002 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.500 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.118 | 0.879 |
| Number of reflections | 36838 | |
| <I/σ(I)> | 6 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 560 | 209 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6 | 293 | 0.1M MES pH 6.0, 10-180mM Lithium citrate, 30-32% (v/v) PEG400, Lipidic cubic phase, temperature 293K |
