6EX5
Staphylococcus aureus triple mutant of 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 | 2014-11-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.979, 58.206, 128.379 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.120 - 1.750 |
R-factor | 0.18555 |
Rwork | 0.184 |
R-free | 0.21559 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rcv |
RMSD bond length | 0.012 |
RMSD bond angle | 1.404 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.120 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 44670 | 2415 |
<I/σ(I)> | 9.5 | 1.6 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 6.8 | 7.3 |
CC(1/2) | 0.996 | 0.882 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 100 mM K thiocyanate, 30% (w/v) PEG 2000 MME |