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 |