3NN3
Structure of chlorite dismutase from Candidatus Nitrospira defluvii R173A mutant
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 | 2009-02-26 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 139.740, 113.620, 120.520 |
| Unit cell angles | 90.00, 118.94, 90.00 |
Refinement procedure
| Resolution | 44.390 - 2.600 |
| R-factor | 0.2142 |
| Rwork | 0.212 |
| R-free | 0.25434 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE MODEL |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.243 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 105.400 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 50785 | |
| Completeness [%] | 92.1 | 79.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 1.4M ammonium phosphate, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
