1MY6
The 1.6 A Structure of Fe-Superoxide Dismutase from the thermophilic cyanobacterium Thermosynechococcus elongatus : Correlation of EPR and Structural Characteristics
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.749, 63.644, 74.709 |
| Unit cell angles | 90.00, 110.45, 90.00 |
Refinement procedure
| Resolution | 70.000 - 1.600 |
| R-factor | 0.19577 |
| Rwork | 0.194 |
| R-free | 0.22600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | FeSOD from E.coli PDB entry 1isc |
| RMSD bond length | 0.018 * |
| RMSD bond angle | 2.000 * |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 1.642 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.088 * | 0.322 * |
| Total number of observations | 274614 * | |
| Number of reflections | 53851 | |
| <I/σ(I)> | 6.35 | 6.35 |
| Completeness [%] | 99.6 * | 94.5 * |
| Redundancy | 16.18 | 14.28 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 293.15 | VAPOR DIFFUSION, HANGING DROP, 293.15K, 0.1M Sodium Cacodylate pH 6.7, 0.2M Magnesium Acetate Tetrahydrate, 20% PEG 6K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 11.7 (mg/ml) | |
| 2 | 1 | drop | Tris | 10 (mM) | pH7.5 |
| 3 | 1 | reservoir | sodium cacodylate | 0.1 (M) | pH6.7 |
| 4 | 1 | reservoir | magnesium acetate tetrahydrate | 0.2 (M) | |
| 5 | 1 | reservoir | PEG6000 | 20 (%) |
