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)) |