3NN2
Structure of chlorite dismutase from Candidatus Nitrospira defluvii in complex with cyanide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-26 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 145.490, 145.490, 136.011 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.836 - 1.940 |
| R-factor | 0.17866 |
| Rwork | 0.177 |
| R-free | 0.21152 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE MODEL |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.322 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 125.000 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Number of reflections | 121046 | |
| Completeness [%] | 99.2 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 1.4M sodium/potassium phosphate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
