1DQI
CRYSTAL STRUCTURE OF SUPEROXIDE REDUCTASE FROM P. FURIOSUS IN THE OXIDIZED STATE AT 1.7 ANGSTROMS RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-12-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.662, 93.191, 99.505 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.600 - 1.700 |
| R-factor | 0.203 * |
| Rwork | 0.203 |
| R-free | 0.21700 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 29.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.600 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.063 | 0.251 |
| Total number of observations | 222107 * | |
| Number of reflections | 51080 | |
| <I/σ(I)> | 21.7 | |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 4.3 | 4.2 |
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)) |
