3P50
Structure of propofol bound to a pentameric ligand-gated ion channel, GLIC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 181.130, 132.780, 159.970 |
| Unit cell angles | 90.00, 102.32, 90.00 |
Refinement procedure
| Resolution | 12.000 - 3.300 |
| R-factor | 0.1842 |
| Rwork | 0.183 |
| R-free | 0.20270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eam |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | BUSTER (2.9.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 3.480 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.119 | 0.462 |
| Number of reflections | 51485 | |
| <I/σ(I)> | 8.7 | 2.3 |
| Completeness [%] | 92.7 | 94.2 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
