5N57
Staphylococcus aureus cambialistic superoxide dismutase SodM
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) | 1.282 |
| Spacegroup name | P 61 |
| Unit cell lengths | 142.225, 142.225, 46.426 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.550 - 2.300 |
| R-factor | 0.19428 |
| Rwork | 0.192 |
| R-free | 0.23744 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rcv |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.695 |
| 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] | 46.550 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 24136 | 2339 |
| <I/σ(I)> | 7 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.3 | 3.3 |
| CC(1/2) | 0.968 | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.05 M KSCN, 34 % PEG 2K MME |
