1DO6
CRYSTAL STRUCTURE OF SUPEROXIDE REDUCTASE IN THE OXIDIZED STATE AT 2.0 ANGSTROM RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 295 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-03-21 |
| Detector | XENTRONICS |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 50.310, 94.020, 52.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.800 - 2.000 |
| R-factor | 0.16 * |
| Rwork | 0.160 |
| R-free | 0.18900 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 29.900 * |
| Data reduction software | X-GEN |
| Data scaling software | XDS |
| Phasing software | MLPHARE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.800 | 2.200 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.062 | 0.178 |
| Total number of observations | 65376 * | |
| Number of reflections | 16334 | |
| <I/σ(I)> | 23.8 | |
| Completeness [%] | 92.9 | 84.2 |
| Redundancy | 4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | PEG4000, TRIS-HYDROCHLORIDE, PH 8.0, GLYCEROL, SODIUM CHLORIDE, ETHANOL, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 100 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | |
| 3 | 1 | reservoir | PEG4000 | 22 (%) | |
| 4 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 5 | 1 | reservoir | glycerol | 10 (%(v/v)) | |
| 6 | 1 | reservoir | 200 (mM) | ||
| 7 | 1 | reservoir | ethanol | 2 (%(v/v)) |
