4MQS
Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo
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] | 77 |
| Detector technology | CCD |
| Collection date | 2013-02-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.896, 78.130, 163.482 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.522 - 3.500 |
| R-factor | 0.2544 |
| Rwork | 0.249 |
| R-free | 0.29820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uon |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.861 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1241)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.000 | 3.600 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.188 | 0.744 |
| Number of reflections | 10386 | |
| Completeness [%] | 95.9 | 83.1 |
| Redundancy | 4.8 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | Reconstituted in 10:1 monoolein:cholesterol mix. Precipitant solution: 10 - 20% PEG300, 100 mM HEPES, pH 7.2 - 7.9, 1.2% 1,2,3-heptanetriol, and 20 - 80 mM EDTA, pH 8.0, Lipidic cubic phase, temperature 293K |
