3EVK
Crystal structure of the metal-bound superoxide dismutase from Pyrobaculum aerophilum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2001-06-07 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.10000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 94.909, 94.909, 171.890 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.540 - 1.850 |
| R-factor | 0.20446 |
| Rwork | 0.202 |
| R-free | 0.23027 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p7g |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.080 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.076 | 0.518 |
| Number of reflections | 76717 | |
| <I/σ(I)> | 23.2 | 3.7 |
| Completeness [%] | 99.4 | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 22% PEG 3000, 0.15M calcium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
