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 |