3AK3
Superoxide dismutase from Aeropyrum pernix K1, Fe-bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-16 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.057, 71.755, 76.404 |
| Unit cell angles | 90.00, 91.72, 90.00 |
Refinement procedure
| Resolution | 49.750 - 1.480 |
| R-factor | 0.22692 |
| Rwork | 0.225 |
| R-free | 0.25621 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3ak1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.143 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.077 | 0.383 |
| Number of reflections | 119558 | |
| <I/σ(I)> | 16.6 | 3.6 |
| Completeness [%] | 95.9 | 88.9 |
| Redundancy | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100mM HEPES, 10% PEG 6000, 8% ethylene glycol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
