6EX3
Staphylococcus aureus superoxide dismutase SodA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.969 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.557, 66.381, 108.311 |
| Unit cell angles | 90.00, 98.72, 90.00 |
Refinement procedure
| Resolution | 47.010 - 2.200 |
| R-factor | 0.20398 |
| Rwork | 0.201 |
| R-free | 0.26744 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rcv |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.478 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.010 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 33834 | 2914 |
| <I/σ(I)> | 9.2 | 1.6 |
| Completeness [%] | 99.3 | 98.5 |
| Redundancy | 3.5 | 3.3 |
| CC(1/2) | 0.998 | 0.749 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 200 mM MgCl2 100 mM Tris pH 8.5 30% (w/v) PEG 4000 |
