4JRE
Crystal structure of nitrate/nitrite exchanger NarK with nitrite bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.99999 |
| Spacegroup name | P 1 |
| Unit cell lengths | 81.910, 81.407, 138.487 |
| Unit cell angles | 100.07, 96.38, 115.92 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| R-factor | 0.22567 |
| Rwork | 0.223 |
| R-free | 0.26860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jr9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.290 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 72283 | |
| <I/σ(I)> | 7.9 | 1.1 |
| Completeness [%] | 94.6 | 76.3 |
| Redundancy | 3.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 277 | 28% PEG400, 0.1 M citric acid pH 3.5, 0.1M NaCl and 0.1M Li2SO4. The crystal was subsequently soaked with 50mM NaNO2 in the above solution prior to freezing, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
