4YIO
X-ray structure of the iron/manganese cambialistic superoxide dismutase from Streptococcus thermophilus
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 | PIXEL |
| Collection date | 2011-03-17 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 98.517, 100.230, 118.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.890 - 1.600 |
| R-factor | 0.15728 |
| Rwork | 0.156 |
| R-free | 0.17497 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lio |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.414 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 1.680 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.047 | 0.316 |
| Number of reflections | 81739 | |
| <I/σ(I)> | 10.8 | 2.9 |
| Completeness [%] | 97.1 | 88.4 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.6-2.0 M ammonium sulphate, 3-5% isopropanol |
