6HHB
Structure of iron bound IbpS from Dickeya dadantii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 173 |
| Detector technology | PIXEL |
| Collection date | 2018-04-04 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.589539 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.891, 78.889, 83.913 |
| Unit cell angles | 73.25, 74.74, 84.92 |
Refinement procedure
| Resolution | 47.991 - 1.800 |
| R-factor | 0.156820705143 |
| Rwork | 0.155 |
| R-free | 0.19114 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6fjl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.800 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.059 | 0.430 |
| Rmeas | 0.069 | 0.600 |
| Number of reflections | 111675 | 5326 |
| <I/σ(I)> | 10 | 1.7 |
| Completeness [%] | 86.4 | 83.3 |
| Redundancy | 4 | 4 |
| CC(1/2) | 0.830 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 20% PEG 3350 0.1M BisTrisPropane pH 8.5 0.2M NaNO3 |
