3K91
Polysulfane Bridge in Cu-Zn Superoxide Dismutase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-04-20 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.049, 57.925, 104.988 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.920 - 1.750 |
| R-factor | 0.1892 |
| Rwork | 0.188 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ozu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.925 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX ((phenix.refine: 1.4_4)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.920 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 24379 | |
| <I/σ(I)> | 15.8 | 3 |
| Completeness [%] | 95.8 | 94.9 |
| Redundancy | 2.8 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.17 M ammonium sulfate, 0.085 M sodium acetate, 25.5% PEG 4000, 15% glycerol, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
