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 |