3H1S
Crystal structure of superoxide dismutase from Francisella tularensis subsp. tularensis SCHU S4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | H 3 |
Unit cell lengths | 136.787, 136.787, 59.765 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 1.900 |
R-factor | 0.1669 |
Rwork | 0.165 |
R-free | 0.20502 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1isc |
RMSD bond length | 0.018 |
RMSD bond angle | 1.509 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.032 | 0.466 |
Number of reflections | 32413 | |
<I/σ(I)> | 38 | 3 |
Completeness [%] | 98.7 | 96.7 |
Redundancy | 3.9 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.2 potassium acetate 20% Peg 3350 0.1 M Cesium chloride, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |