3GKK
Insights into the Alkyl Peroxide Reduction Activity of Xanthomonas campestris Bacterioferritin Comigratory Protein from the Trapped Intermediate/Ligand Complex Structures
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.835, 54.646, 36.645 |
| Unit cell angles | 90.00, 108.23, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.830 |
| R-factor | 0.179 |
| Rwork | 0.179 |
| R-free | 0.22800 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.328 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.900 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.085 | 0.456 |
| Number of reflections | 11378 | |
| <I/σ(I)> | 12.35 | 12.35 |
| Completeness [%] | 98.9 | 99.5 |
| Redundancy | 2.8 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 2mM DTT, 2M AMMONIUM SULPHATE, 0.2M NaCl, 0.1M CACODYLATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 2mM DTT, 2M AMMONIUM SULPHATE, 0.2M NaCl, 0.1M CACODYLATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
