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 |