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 |