3UON
Structure of the human M2 muscarinic acetylcholine receptor bound to an 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 | 2011-02-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.170, 47.260, 88.120 |
Unit cell angles | 90.00, 109.70, 90.00 |
Refinement procedure
Resolution | 27.466 - 3.000 |
R-factor | 0.2274 |
Rwork | 0.225 |
R-free | 0.27640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Beta2 adrenergic receptor T4 lysozyme (PDB ENTRY 2RH1) |
RMSD bond length | 0.002 |
RMSD bond angle | 0.573 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.500 | 3.050 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.185 | 0.454 |
Number of reflections | 11726 | |
<I/σ(I)> | 6.1 | 1.4 |
Completeness [%] | 94.1 | 79.2 |
Redundancy | 3.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 293 | 25 to 35% PEG 300, 100 mM ammonium phosphate, 2% 2-Methyl-2,4-pentanediol, 100 mM HEPES, 10:1 monoolein:cholesterol lipid mix diluted 1.5:1 with protein in detergent buffer, Lipidic cubic phase, temperature 293K, pH 7.5 | |
1 | 7.5 | 293 | 25 to 35% PEG 300, 100 mM ammonium phosphate, 2% 2-Methyl-2,4-pentanediol, 100 mM HEPES, 10:1 monoolein:cholesterol lipid mix diluted 1.5:1 with protein in detergent buffer, Lipidic cubic phase, temperature 293K, pH 7.5 |