5SXU
X-ray structure of 2-bromoethanol bound to a pentameric ligand gated ion channel (ELIC) in a desensitized 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 | 105.903, 266.791, 111.109 |
Unit cell angles | 90.00, 107.13, 90.00 |
Refinement procedure
Resolution | 29.927 - 3.100 |
R-factor | 0.2016 |
Rwork | 0.200 |
R-free | 0.23870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rqu |
RMSD bond length | 0.006 |
RMSD bond angle | 1.328 |
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] | 39.610 | 3.120 |
High resolution limit [Å] | 3.070 | 3.070 |
Number of reflections | 109403 | |
<I/σ(I)> | 19.1 | 1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 36.4 | 37.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 277 | PEG 4000, ammonium sulfate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID |