1Q0F
Crystal structure of Ni-containing superoxide dismutase with Ni-ligation corresponding to the state after partial x-ray-induced reduction
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-04-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.2398 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 112.260, 113.749, 128.618 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.100 - 2.200 |
| Rwork | 0.157 |
| R-free | 0.16700 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.100 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.048 | 0.136 |
| Number of reflections | 83880 | |
| <I/σ(I)> | 13.3 | 5.5 |
| Completeness [%] | 99.8 | 98.7 |
| Redundancy | 4.6 | 4.6 |
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 293K |
