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 |