6OL9
Structure of the M5 muscarinic acetylcholine receptor (M5-T4L) bound to tiotropium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-22 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.060, 63.310, 91.620 |
| Unit cell angles | 90.00, 102.11, 90.00 |
Refinement procedure
| Resolution | 47.903 - 2.541 |
| R-factor | 0.2372 |
| Rwork | 0.236 |
| R-free | 0.25730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4u15 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.070 | 2.660 |
| High resolution limit [Å] | 2.540 | 2.550 |
| Rmerge | 0.302 | |
| Rpim | 0.039 | 0.533 |
| Number of reflections | 17944 | 2167 |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 56.5 | 41.9 |
| CC(1/2) | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | Reconstituted in 10:1 monoolein:cholesterol mix, 100 mM D-L Malic acid pH 6.0, 220-280 mM ammonium tartrate dibasic, 37-41% PEG 400 |
