3GKN
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 BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-14 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.110, 56.490, 74.900 |
| Unit cell angles | 90.00, 119.55, 90.00 |
Refinement procedure
| Resolution | 24.880 - 1.470 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gkk |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.238 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.520 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.033 | 0.426 |
| Number of reflections | 60047 | |
| <I/σ(I)> | 25.58 | 2.16 |
| Completeness [%] | 96.3 | 92.1 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 298 | 1.7M (NH4)2SO4, 0.2M NaCl, 0.1M Na cacodylate pH 6.5, temperature 298K |
