4EJ4
Structure of the delta opioid receptor bound to naltrindole
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] | 78 |
Detector technology | CCD |
Collection date | 2012-03-16 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 73.278, 73.278, 266.653 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.403 - 3.400 |
R-factor | 0.2552 |
Rwork | 0.252 |
R-free | 0.28180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dkl |
RMSD bond length | 0.006 |
RMSD bond angle | 1.096 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.500 |
High resolution limit [Å] | 3.400 | 3.400 |
Rmerge | 0.177 | 0.580 |
Number of reflections | 12144 | |
<I/σ(I)> | 7.9 | 1.8 |
Completeness [%] | 98.3 | 95.8 |
Redundancy | 6.5 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 293 | 29-33% PEG 400, 100 mM HEPES pH 7.5, 120-180 mM sodium citrate, 350 mM Magnesium chloride. Protein was mixed 1:1.5 (w:w) with 91% monoolein 9% cholesterol mixture by weight, Lipidic cubic phase, temperature 293K | |
1 | 7.5 | 293 | 29-33% PEG 400, 100 mM HEPES pH 7.5, 120-180 mM sodium citrate, 350 mM Magnesium chloride. Protein was mixed 1:1.5 (w:w) with 91% monoolein 9% cholesterol mixture by weight, Lipidic cubic phase, temperature 293K |