5A13
Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with thiocyanate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2014-01-26 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.026, 124.482, 133.376 |
| Unit cell angles | 90.00, 92.91, 90.00 |
Refinement procedure
| Resolution | 49.110 - 1.750 |
| R-factor | 0.15287 |
| Rwork | 0.151 |
| R-free | 0.18349 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q08 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.781 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.110 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.080 | 0.600 |
| Number of reflections | 261153 | |
| <I/σ(I)> | 12 | 2.2 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 4.6 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 20% PEG 4000, 0.1 M TRIS-HCL PH 8.5, 0.2 M LI2SO4 |
