5N56
Staphylococcus aureus Mn-dependent 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 | 2014-04-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.881 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.275, 68.356, 56.724 |
| Unit cell angles | 90.00, 99.45, 90.00 |
Refinement procedure
| Resolution | 43.300 - 2.070 |
| R-factor | 0.15415 |
| Rwork | 0.150 |
| R-free | 0.23888 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ids |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.563 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.300 | 2.120 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Number of reflections | 21845 | 936 |
| <I/σ(I)> | 9 | 1.5 |
| Completeness [%] | 91.6 | 51.7 |
| Redundancy | 3.5 | 1.6 |
| CC(1/2) | 0.996 | 0.953 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.2 M MgCl2, 30 % PEG 4000, 0.1 M Tris pH 8.5 |
