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 |