5ZKC
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with NMS
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 | 2015-09-28 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.430, 58.960, 88.970 |
| Unit cell angles | 90.00, 98.82, 90.00 |
Refinement procedure
| Resolution | 48.968 - 2.300 |
| R-factor | 0.2328 |
| Rwork | 0.231 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.489 |
| 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 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 21307 | |
| <I/σ(I)> | 14 | |
| Completeness [%] | 99.9 | |
| Redundancy | 48.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 50mM MES-NaOH pH 6.2-7.0, 26-32 % PEG300, 300~500mM Ammonium Fluoride, 1% 1,2,3-heptanetriol, 0.5mM NMS and 5% DMSO |
