5DSG
Structure of the M4 muscarinic acetylcholine receptor (M4-mT4L) bound to tiotropium
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] | 293 |
| Detector technology | CCD |
| Collection date | 2013-12-11 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.490, 172.040, 60.660 |
| Unit cell angles | 90.00, 94.37, 90.00 |
Refinement procedure
| Resolution | 28.530 - 2.600 |
| R-factor | 0.2275 |
| Rwork | 0.227 |
| R-free | 0.24030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.613 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.990 | 2.670 | |
| High resolution limit [Å] | 2.600 | 11.630 | 2.600 |
| Rmerge | 0.213 | 0.107 | 0.932 |
| Rmeas | 0.221 | 0.110 | 1.053 |
| Total number of observations | 397753 | ||
| Number of reflections | 30337 | 335 | 2200 |
| <I/σ(I)> | 8.18 | 19.48 | 1.39 |
| Completeness [%] | 99.7 | 92.5 | 97.4 |
| Redundancy | 13.1 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | Reconstituted in 10:1 monoolein:cholesterol mix. Precipitant solution: 20 - 40% PEG300, 100 mM MES, pH 5.5 - 7.5, and 10 - 150 mM EDTA, pH 8.0 |
