5L47
X-ray structure of the 2-22' locally-closed mutant of GLIC in complex with cyanoselenobarbital (seleniated barbiturate)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2015-11-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.93 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 181.158, 128.124, 162.193 |
| Unit cell angles | 90.00, 102.72, 90.00 |
Refinement procedure
| Resolution | 49.000 - 3.300 |
| R-factor | 0.2106 |
| Rwork | 0.210 |
| R-free | 0.22950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3TLV.pdb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.150 |
| High resolution limit [Å] | 2.990 | 2.990 |
| Number of reflections | 72625 | |
| <I/σ(I)> | 9.4 | 1.9 |
| Completeness [%] | 99.1 | 99.5 |
| Redundancy | 3.9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291 | 100 mM Na Acetate pH4, 200 mM Na SCN, 12-15% PEG4000, 3% DMSO, 16% glycerol |
