4RWA
Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target)
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 | CCD |
| Collection date | 2013-12-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0330 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.549, 86.121, 94.684 |
| Unit cell angles | 90.00, 92.21, 90.00 |
Refinement procedure
| Resolution | 94.610 - 3.280 |
| R-factor | 0.24067 |
| Rwork | 0.239 |
| R-free | 0.27296 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4n6h |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.146 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.610 | 3.510 |
| High resolution limit [Å] | 3.280 | 3.300 |
| Rmerge | 0.173 | 0.875 |
| Number of reflections | 18862 | |
| <I/σ(I)> | 11.7 | 1.9 |
| Completeness [%] | 96.3 | 97.3 |
| Redundancy | 4.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 6 | 293 | 25-28% (v/v) PEG 400, 0.12 to 0.2 M NaCl, 100 mM MES buffer at pH 6.0, 1 mM DIPP-NH2 and 5% (v/v) of either one of the following additives: 30% glycerol, 1.0 M glycine or 0.01M L-glutathione reduced/0.01M L-glutathione oxidized, Lipidic cubic phase, temperature 293K |
