6QV9
Staphylococcus aureus superoxide dismutase SodA double mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.550 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.250, 68.150, 57.290 |
| Unit cell angles | 90.00, 100.58, 90.00 |
Refinement procedure
| Resolution | 35.770 - 1.800 |
| R-factor | 0.17252 |
| Rwork | 0.171 |
| R-free | 0.20685 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ex3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.559 |
| Data reduction software | xia2 |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.460 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 36588 | 2068 |
| <I/σ(I)> | 10.9 | 2.2 |
| Completeness [%] | 99.4 | 96.4 |
| Redundancy | 6 | 4 |
| CC(1/2) | 0.995 | 0.730 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 200 mM MgCl2, 100 mM Bis-Tris pH 5.5, 25% PEG3350 |
