5K90
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex with isothiocyanate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.7749 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.759, 54.631, 94.096 |
| Unit cell angles | 99.80, 94.82, 99.17 |
Refinement procedure
| Resolution | 46.775 - 1.280 |
| R-factor | 0.2113 |
| Rwork | 0.210 |
| R-free | 0.23590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.375 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_2712) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.775 | 1.326 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.077 | 2.588 |
| Number of reflections | 242310 | |
| <I/σ(I)> | 4.99 | 0.27 |
| Completeness [%] | 93.0 | 94 |
| Redundancy | 1.8 | 1.8 |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.15 M MgSO4, 0.1 M MES pH 6.5, 25% (w/v) PEG3350, 10 mM NaSCN |
