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 |