4DKL
Crystal structure of the mu-opioid receptor bound to a morphinan antagonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 78 |
| Detector technology | CCD |
| Collection date | 2011-11-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.882, 174.730, 68.353 |
| Unit cell angles | 90.00, 107.84, 90.00 |
Refinement procedure
| Resolution | 30.488 - 2.800 |
| R-factor | 0.2347 |
| Rwork | 0.233 |
| R-free | 0.27530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3odu |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.928 |
| 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] | 30.500 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.144 | 0.788 |
| Number of reflections | 19145 | |
| <I/σ(I)> | 10.6 | 1.8 |
| Completeness [%] | 99.0 | 99.3 |
| Redundancy | 5.8 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 7 | 293 | 100 mM HEPES, pH 7.0, 300 mM lithium sulfate, 7.5% DMSO, 30-38% PEG400 in monoolein:cholesterol mixed in a 10:1 ratio, LIPIDIC CUBIC PHASE, temperature 293K |
