1S4I
Crystal structure of a SOD-like protein from Bacillus subtilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-10-05 |
Detector | MARRESEARCH |
Wavelength(s) | 1.281 |
Spacegroup name | P 1 |
Unit cell lengths | 38.225, 61.108, 64.915 |
Unit cell angles | 84.35, 76.02, 90.42 |
Refinement procedure
Resolution | 37.010 - 1.800 |
R-factor | 0.22399 |
Rwork | 0.221 |
R-free | 0.25762 |
Structure solution method | SAD |
RMSD bond length | 0.026 |
RMSD bond angle | 2.775 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | SHARP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.070 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.034 | 0.230 |
Number of reflections | 49677 | |
<I/σ(I)> | 13.8 | 2.6 |
Completeness [%] | 94.6 | 92.4 |
Redundancy | 4.7 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | TRIS, Ammonium sulphate, PEG4000, LiCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |