1P7G
Crystal structure of superoxide dismutase from Pyrobaculum aerophilum
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-06-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9785, 0.9708, 0.9787, 0.9863 |
| Spacegroup name | P 32 |
| Unit cell lengths | 163.429, 163.429, 172.169 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.450 - 1.800 |
| R-factor | 0.162 |
| Rwork | 0.162 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1SSS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 21.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | GLRF |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.400 * | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.076 | 0.302 |
| Total number of observations | 2013670 * | |
| Number of reflections | 465126 | |
| <I/σ(I)> | 20.1 | 3.3 |
| Completeness [%] | 97.6 | 82.6 |
| Redundancy | 4.3 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 * | PEG 3000, calcium acetate, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG3000 | 10-15 (%(v/v)) | |
| 2 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
| 3 | 1 | reservoir | calcium acetate | 0.15 (M) | |
| 4 | 1 | drop | protein | 22 (mg/ml) |
