5L4H
X-ray structure of the 2-22' locally-closed mutant of GLIC in complex with 5-(2-BROMO-ETHYL)-5-ETHYL-PYRIMIDINE-2,4,6-TRIONE (brominated barbiturate)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2015-04-29 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.93 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 177.145, 127.942, 159.700 |
| Unit cell angles | 90.00, 101.03, 90.00 |
Refinement procedure
| Resolution | 48.000 - 3.300 |
| R-factor | 0.2147 |
| Rwork | 0.214 |
| R-free | 0.23490 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| 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] | 49.000 | 3.480 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Number of reflections | 52350 | |
| <I/σ(I)> | 9.4 | 1.9 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 100 mM NaAcetate pH4, 200 mM NaSCN, 12-15% PEG4000, 16% glycerol, 3% DMSO |
