5ZHP
M3 muscarinic acetylcholine receptor in complex with a selective antagonist
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 | 2018-02-05 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 122.110, 53.050, 124.720 |
| Unit cell angles | 90.00, 98.70, 90.00 |
Refinement procedure
| Resolution | 19.984 - 3.100 |
| R-factor | 0.232 |
| Rwork | 0.229 |
| R-free | 0.26710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4u15 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.470 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.200 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 29106 | 2511 |
| <I/σ(I)> | 6.63 | 1.03 |
| Completeness [%] | 99.3 | 96.5 |
| Redundancy | 8.4 | |
| CC(1/2) | 0.990 | 0.536 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293.15 | 40-43% PEG300, 300-400 mM ammonium citrate, 0.1M tris-HCI, pH7.5, 1mM 6o, |
