5JGP
Crystal structure of the nitrate/nitrite sensor NarQ fragment bound with iodide ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.85 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 57.241, 73.663, 236.428 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.110 - 2.700 |
| R-factor | 0.19379 |
| Rwork | 0.190 |
| R-free | 0.26259 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.409 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.110 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.126 | 0.844 |
| Number of reflections | 13279 | |
| <I/σ(I)> | 11.03 | 2.24 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.73 | 6.78 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | in meso lipidic cubic phase crystallization |
