5ZKB
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with AF-DX 384
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 | CCD |
| Collection date | 2015-10-02 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 213.010, 60.090, 48.750 |
| Unit cell angles | 90.00, 92.66, 90.00 |
Refinement procedure
| Resolution | 48.697 - 2.950 |
| R-factor | 0.2321 |
| Rwork | 0.230 |
| R-free | 0.27950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.475 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.130 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Number of reflections | 13188 | |
| <I/σ(I)> | 8.08 | |
| Completeness [%] | 100.0 | |
| Redundancy | 18.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 50mM MES-NaOH pH 6.2-7.0, 18 % PEG300, 100mM Magnesium acetate, 1% 1,2,3-heptanetriol, 0.5mM AF-DX 384 and 5% DMSO |
