1JR9
Crystal Structure of manganese superoxide dismutases from Bacillus halodenitrificans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OTHER |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-03-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 93.120, 93.120, 63.527 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.800 |
| Rwork | 0.220 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mds |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.440 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.880 |
| High resolution limit [Å] | 2.800 | 3.200 * |
| Rmerge | 0.153 * | 0.527 * |
| Total number of observations | 73544 * | |
| Number of reflections | 4892 * | |
| <I/σ(I)> | 19.7 | 3.5 |
| Completeness [%] | 100.0 * | 100 * |
| Redundancy | 18.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 281 | PEG4000, Sodium Cacodylate, Zinc acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 10 (%(w/v)) | |
| 2 | 1 | reservoir | zinc acetate | 10 (mM) | |
| 3 | 1 | reservoir | sodium cacodylate | 0.1 (M) | pH6.5 |
| 4 | 1 | drop | sodium cacodylate | 20 (mM) | pH6.5 |
| 5 | 1 | drop | protein | 6 (mg/ml) |
