1Q0K
Crystal structure of Ni-containing superoxide dismutase with Ni-ligation corresponding to the thiosulfate-reduced state
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 | 2000-06-22 |
Detector | MARRESEARCH |
Wavelength(s) | 1.1271 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 111.635, 113.651, 129.356 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.200 - 2.100 |
Rwork | 0.204 |
R-free | 0.23800 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
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] | 40.200 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.051 | 0.406 |
Number of reflections | 95957 | |
<I/σ(I)> | 10.3 | 1.9 |
Completeness [%] | 99.6 | 99.6 |
Redundancy | 3.8 | 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 |