4TWF
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with bromomemantine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-11-10 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.91946 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 106.505, 266.092, 112.175 |
Unit cell angles | 90.00, 107.70, 90.00 |
Refinement procedure
Resolution | 49.830 - 3.901 |
R-factor | 0.2045 |
Rwork | 0.202 |
R-free | 0.24990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vl0 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.560 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.830 | 4.110 |
High resolution limit [Å] | 3.900 | 3.900 |
Rmerge | 0.936 | |
Number of reflections | 53624 | |
<I/σ(I)> | 8.7 | |
Completeness [%] | 99.3 | 95.5 |
Redundancy | 4.9 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 200 mM ammonium sulphate, 50 mM ADA pH 5.5, 20 % PEG 4000 |