6QV8
Staphylococcus aureus superoxide dismutase SodM 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) | 0.976 |
Spacegroup name | P 61 |
Unit cell lengths | 144.210, 144.210, 49.220 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.200 - 1.500 |
R-factor | 0.14013 |
Rwork | 0.138 |
R-free | 0.17190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ex4 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.655 |
Data reduction software | xia2 |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.200 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 93785 | 51823 |
<I/σ(I)> | 18.6 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11 | 11.2 |
CC(1/2) | 0.999 | 0.659 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 30 mM MgCl2, 30 mM CaCl2, 39.1 mM Bicine, 60.9 mM Trizma pH 8.5, 20 % PEG 550 MME and 10 % PEG 20000 |