1Q0M
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 | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-05-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.532, 119.428, 121.176 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.400 - 1.680 |
| Rwork | 0.177 |
| R-free | 0.20000 |
| 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] | 34.400 | 1.760 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.043 | 0.276 |
| Number of reflections | 108081 | |
| <I/σ(I)> | 11 | 2.7 |
| Completeness [%] | 99.1 | 96 |
| Redundancy | 6.6 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.25 | 293 | ammonium sulfate, sodium acetate pH 5.25, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
