5SXV
X-ray structure of 2-bromoethanol bound to a pentameric ligand gated ion channel (ELIC) in a resting state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9195 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 105.747, 266.935, 111.416 |
| Unit cell angles | 90.00, 107.04, 90.00 |
Refinement procedure
| Resolution | 29.735 - 3.400 |
| R-factor | 0.2172 |
| Rwork | 0.215 |
| R-free | 0.25880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rqu |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.843 |
| Data scaling software | XDS (January 10, 2014 BUILT=20140307) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.630 | 3.470 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Number of reflections | 80765 | |
| <I/σ(I)> | 12.2 | 1.1 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 43.1 | 36.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 277 | PEG 4000, ammonium sulfate |
