1Q0G
Crystal structure of Ni-containing superoxide dismutase with Ni-ligation corresponding to the state after full x-ray-induced reduction
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 | 2000-04-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9326 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 112.264, 113.811, 128.603 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.600 - 1.600 |
| Rwork | 0.184 |
| R-free | 0.20200 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.000 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.600 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.080 | 0.260 |
| Number of reflections | 213373 | |
| <I/σ(I)> | 13 | 2.8 |
| Completeness [%] | 98.9 | 97.6 |
| Redundancy | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.25 | 293 | ammonium sulfate, 2-propanol, pH 5.25, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
