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 |